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Pyrimidones
Description:
Compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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2-Hydroxypyrimidine-5-carbaldehydeCas Number: 166757-62-6 Compound CID: 45080147Formula: C5H4N2O2 Molecular Weight: 124.1IUPAC Name: 2-oxo-1H-pyrimidine-5-carbaldehydeSMILES: C1=C(C=NC(=O)N1)C=OInChIKey: SXSQXMJTKWVULJ-UHFFFAOYSA-NInChI: InChI=1S/C5H4N2O2/c8-3-4-1-6-5(9)7-2-4/h1-3H,(H,6,7,9) -
1-isobutyl-3-methyl-5-nitroso-6-amino uracilCas Number: 54052-67-4 Compound CID: 104678Formula: C9H14N4O3IUPAC Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-nitrosopyrimidine-2,4-dioneSMILES: CC(C)CN1C(=C(C(=O)N(C1=O)C)N=O)NInChIKey: PXWGPZUKJUEITG-UHFFFAOYSA-NInChI: InChI=1S/C9H14N4O3/c1-5(2)4-13-7(10)6(11-16)8(14)12(3)9(13)15/h5H,4,10H2,1-3H3
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Ethyl 2-(4-hydroxy-2-mercaptopyrimidin-5-yl)acetateCas Number: 29571-39-9 Compound CID: 3659581Formula: C8H10N2O3S Molecular Weight: 214.24IUPAC Name: ethyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetateSMILES: CCOC(=O)CC1=CNC(=S)NC1=OInChIKey: AZQJLAUOZFTBTH-UHFFFAOYSA-NInChI: InChI=1S/C8H10N2O3S/c1-2-13-6(11)3-5-4-9-8(14)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,14)
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Pyrimido[4，5-d]pyridazine-2，4(1H，3H)-dioneCas Number: 17257-96-4 Compound CID: 5409234Formula: C6H4N4O2 Molecular Weight: 164.12IUPAC Name: 1H-pyrimido[4,5-d]pyridazine-2,4-dioneSMILES: C1=C2C(=CN=N1)NC(=O)NC2=OInChIKey: OXXOHYAWQSFGSU-UHFFFAOYSA-NInChI: InChI=1S/C6H4N4O2/c11-5-3-1-7-8-2-4(3)9-6(12)10-5/h1-2H,(H2,9,10,11,12)
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6-Amino-3-Cyclopropyl-1-(2-Fluoro-4-Iodophenyl)Pyrimidine-2，4(1H，3H)-DioneCas Number: 871700-28-6 Compound CID: 59717187Formula: C13H11FIN3O2 Molecular Weight: 387.15IUPAC Name: 6-amino-3-cyclopropyl-1-(2-fluoro-4-iodophenyl)pyrimidine-2,4-dioneSMILES: C1CC1N2C(=O)C=C(N(C2=O)C3=C(C=C(C=C3)I)F)NInChIKey: WVVWGHZIHSJFNG-UHFFFAOYSA-NInChI: InChI=1S/C13H11FIN3O2/c14-9-5-7(15)1-4-10(9)18-11(16)6-12(19)17(13(18)20)8-2-3-8/h1,4-6,8H,2-3,16H2
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6-Amino-5-nitroso-1,3-dipropylpyrimidine-2,4(1H,3H)-dioneCas Number: 81250-33-1 Compound CID: 5182018Formula: C10H16N4O3 Molecular Weight: 240.26IUPAC Name: 6-amino-5-nitroso-1,3-dipropylpyrimidine-2,4-dioneSMILES: CCCN1C(=C(C(=O)N(C1=O)CCC)N=O)NInChIKey: HLHWJHPBAYITQE-UHFFFAOYSA-NInChI: InChI=1S/C10H16N4O3/c1-3-5-13-8(11)7(12-17)9(15)14(6-4-2)10(13)16/h3-6,11H2,1-2H3
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2-methoxypyrimidin-4-olCas Number: 25902-86-7 Compound CID: 13698448Formula: C5H6N2O2 Molecular Weight: 126.11IUPAC Name: 2-methoxy-1H-pyrimidin-6-oneSMILES: COC1=NC=CC(=O)N1InChIKey: PDJZKZLISQIEOC-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2O2/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)
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2-Amino-5-methoxypyrimidin-4(1H)-oneFormula: C5H7N3O2 Molecular Weight: 141.13IUPAC Name: 2-amino-5-methoxy-1H-pyrimidin-6-oneSMILES: COC1=CN=C(NC1=O)NInChIKey: QWQSXGCANXFBCW-UHFFFAOYSA-NInChI: InChI=1S/C5H7N3O2/c1-10-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9)
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2-(Chloromethyl)pyrimidin-4(3H)-oneCas Number: 944905-88-8 Compound CID: 20270570IUPAC Name: 2-(chloromethyl)-1H-pyrimidin-6-oneSMILES: C1=CN=C(NC1=O)CClInChIKey: UHPUYOIOPLNWKU-UHFFFAOYSA-NInChI: InChI=1S/C5H5ClN2O/c6-3-4-7-2-1-5(9)8-4/h1-2H,3H2,(H,7,8,9)
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1-Benzylpyrimidine-2,4(1H,3H)-dioneCas Number: 717-00-0 Compound CID: 237962Formula: C11H10N2O2 Molecular Weight: 202.21IUPAC Name: 1-benzylpyrimidine-2,4-dioneSMILES: C1=CC=C(C=C1)CN2C=CC(=O)NC2=OInChIKey: VYBPQVFJJKEBLA-UHFFFAOYSA-NInChI: InChI=1S/C11H10N2O2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14,15)
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1-(2-Hydroxyethyl)pyrimidine-2，4(1H，3H)-dioneCas Number: 936-70-9 Compound CID: 11030057Formula: C6H8N2O3 Molecular Weight: 156.14IUPAC Name: 1-(2-hydroxyethyl)pyrimidine-2,4-dioneSMILES: C1=CN(C(=O)NC1=O)CCOInChIKey: WPOIKUYNYCMJLT-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2O3/c9-4-3-8-2-1-5(10)7-6(8)11/h1-2,9H,3-4H2,(H,7,10,11)
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(1，2-dihydro-2-oxo-5-Pyrimidinyl)-boronic acidCas Number: 373384-19-1 Compound CID: 17750423Formula: C4H5BN2O3 Molecular Weight: 139.91IUPAC Name: (2-oxo-1H-pyrimidin-5-yl)boronic acidSMILES: B(C1=CNC(=O)N=C1)(O)OInChIKey: CUMUXKDXPIIDJE-UHFFFAOYSA-NInChI: InChI=1S/C4H5BN2O3/c8-4-6-1-3(2-7-4)5(9)10/h1-2,9-10H,(H,6,7,8)
