7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C21H22N4O — CID 135864071

About 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864071) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 135864071
• Molecular Formula: C21H22N4O
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.18
• IUPAC Name: 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: Cc1cccc(C)c1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1
• InChI: InChI=1S/C21H22N4O/c1-14-6-5-7-15(2)17(14)12-25-11-9-16-19(13-25)23-20(24-21(16)26)18-8-3-4-10-22-18/h3-8,10H,9,11-13H2,1-2H3,(H,23,24,26)
• InChIKey: VMRFLFRFKMYDSC-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864071) is 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1cccc(C)c1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1.

What is the InChIKey of 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is VMRFLFRFKMYDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-6-5-7-15(2)17(14)12-25-11-9-16-19(13-25)23-20(24-21(16)26)18-8-3-4-10-22-18/h3-8,10H,9,11-13H2,1-2H3,(H,23,24,26).

What are the key properties of 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 346.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).