6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

C26H25FN8O3 — CID 11598773

About 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 11598773) has the molecular formula C26H25FN8O3 and a molecular weight of 516.54 g/mol. Its IUPAC name is 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• PubChem CID: 11598773
• Molecular Formula: C26H25FN8O3
• Molecular Weight: 516.54 g/mol
• Exact Mass: 516.20
• IUPAC Name: 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• SMILES: COc1nc(C(=O)NCc2ccc(F)c(C)c2)cc(C(=O)N[C@H]2CCc3c2ccc(-c2nn[nH]n2)c3C)n1
• InChI: InChI=1S/C26H25FN8O3/c1-13-10-15(4-8-19(13)27)12-28-24(36)21-11-22(31-26(30-21)38-3)25(37)29-20-9-7-16-14(2)17(5-6-18(16)20)23-32-34-35-33-23/h4-6,8,10-11,20H,7,9,12H2,1-3H3,(H,28,36)(H,29,37)(H,32,33,34,35)/t20-/m0/s1
• InChIKey: QIAKIKRDVCDPHO-FQEVSTJZSA-N
• XLogP: 2.77
• TPSA: 147.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.54
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (CID 11598773) is 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

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

The canonical SMILES for 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is COc1nc(C(=O)NCc2ccc(F)c(C)c2)cc(C(=O)N[C@H]2CCc3c2ccc(-c2nn[nH]n2)c3C)n1.

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

The InChIKey is QIAKIKRDVCDPHO-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25FN8O3/c1-13-10-15(4-8-19(13)27)12-28-24(36)21-11-22(31-26(30-21)38-3)25(37)29-20-9-7-16-14(2)17(5-6-18(16)20)23-32-34-35-33-23/h4-6,8,10-11,20H,7,9,12H2,1-3H3,(H,28,36)(H,29,37)(H,32,33,34,35)/t20-/m0/s1.

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

6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 516.54 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 11598773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).