6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

C63H56F3N19O9 — CID 158840137

About 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 158840137) has the molecular formula C63H56F3N19O9 and a molecular weight of 1280.26 g/mol. Its IUPAC name is 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• PubChem CID: 158840137
• Molecular Formula: C63H56F3N19O9
• Molecular Weight: 1280.26 g/mol
• Exact Mass: 1279.45
• IUPAC Name: 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• SMILES: Cc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-n5nn[nH]c5=O)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-n5nnn(C)c5=O)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)O)ncn2)ccc1F
• InChI: InChI=1S/C25H23FN8O3.C24H21FN8O3.C14H12FN3O3/c1-14-9-15(3-7-19(14)26)12-27-23(35)21-11-22(29-13-28-21)24(36)30-20-8-4-16-10-17(5-6-18(16)20)34-25(37)33(2)31-32-34;1-13-8-14(2-6-18(13)25)11-26-22(34)20-10-21(28-12-27-20)23(35)29-19-7-3-15-9-16(4-5-17(15)19)33-24(36)30-31-32-33;1-8-4-9(2-3-10(8)15)6-16-13(19)11-5-12(14(20)21)18-7-17-11/h3,5-7,9-11,13,20H,4,8,12H2,1-2H3,(H,27,35)(H,30,36);2,4-6,8-10,12,19H,3,7,11H2,1H3,(H,26,34)(H,29,35)(H,30,32,36);2-5,7H,6H2,1H3,(H,16,19)(H,20,21)/t20-;19-;/m00./s1
• InChIKey: IYDDXWLLBJTCDD-DPLATRMDSA-N
• XLogP: 4.64
• TPSA: 376.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1280.26
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The IUPAC name of 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (CID 158840137) is 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

What is the SMILES notation for 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The canonical SMILES for 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is Cc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-n5nn[nH]c5=O)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-n5nnn(C)c5=O)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)O)ncn2)ccc1F.

What is the InChIKey of 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The InChIKey is IYDDXWLLBJTCDD-DPLATRMDSA-N. The full InChI is InChI=1S/C25H23FN8O3.C24H21FN8O3.C14H12FN3O3/c1-14-9-15(3-7-19(14)26)12-27-23(35)21-11-22(29-13-28-21)24(36)30-20-8-4-16-10-17(5-6-18(16)20)34-25(37)33(2)31-32-34;1-13-8-14(2-6-18(13)25)11-26-22(34)20-10-21(28-12-27-20)23(35)29-19-7-3-15-9-16(4-5-17(15)19)33-24(36)30-31-32-33;1-8-4-9(2-3-10(8)15)6-16-13(19)11-5-12(14(20)21)18-7-17-11/h3,5-7,9-11,13,20H,4,8,12H2,1-2H3,(H,27,35)(H,30,36);2,4-6,8-10,12,19H,3,7,11H2,1H3,(H,26,34)(H,29,35)(H,30,32,36);2-5,7H,6H2,1H3,(H,16,19)(H,20,21)/t20-;19-;/m00./s1.

What are the key properties of 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 1280.26 g/mol, XLogP of 4.64, 16 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-1H-tetrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 158840137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).