5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one

C19H18N6O — CID 66892160

About 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66892160) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 66892160
• Molecular Formula: C19H18N6O
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.15
• IUPAC Name: 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1nc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2[nH]1
• InChI: InChI=1S/C19H18N6O/c1-10-21-13-6-3-11(7-15(13)22-10)14-8-16-17(19(26)25(2)9-20-16)18(24-14)23-12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,21,22)(H,23,24)
• InChIKey: CXHDHLLIEBBVPK-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one (CID 66892160) is 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one is Cc1nc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2[nH]1.

What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is CXHDHLLIEBBVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-10-21-13-6-3-11(7-15(13)22-10)14-8-16-17(19(26)25(2)9-20-16)18(24-14)23-12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,21,22)(H,23,24).

What are the key properties of 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one?

5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 346.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66892160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).