6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

C24H24N8O3 — CID 58686306

About 6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 58686306) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• PubChem CID: 58686306
• Molecular Formula: C24H24N8O3
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.20
• IUPAC Name: 6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• SMILES: CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5nnn(C)n5)ccc43)ncn2)co1
• InChI: InChI=1S/C24H24N8O3/c1-3-17-8-14(12-35-17)11-25-23(33)20-10-21(27-13-26-20)24(34)28-19-7-5-15-9-16(4-6-18(15)19)22-29-31-32(2)30-22/h4,6,8-10,12-13,19H,3,5,7,11H2,1-2H3,(H,25,33)(H,28,34)/t19-/m0/s1
• InChIKey: QXHYBDQYWHYZJN-IBGZPJMESA-N
• XLogP: 2.17
• TPSA: 140.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (CID 58686306) is 6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

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

The canonical SMILES for 6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5nnn(C)n5)ccc43)ncn2)co1.

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

The InChIKey is QXHYBDQYWHYZJN-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N8O3/c1-3-17-8-14(12-35-17)11-25-23(33)20-10-21(27-13-26-20)24(34)28-19-7-5-15-9-16(4-6-18(15)19)22-29-31-32(2)30-22/h4,6,8-10,12-13,19H,3,5,7,11H2,1-2H3,(H,25,33)(H,28,34)/t19-/m0/s1.

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

6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[(5-ethylfuran-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 58686306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).