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

C23H20N6O — CID 135944451

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

6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944451) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135944451
• Molecular Formula: C23H20N6O
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.17
• IUPAC Name: 6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1ccc(-c3ccccc3)nc1)CC2
• InChI: InChI=1S/C23H20N6O/c30-23-19-14-29(9-8-21(19)27-22(28-23)18-11-24-15-25-12-18)13-16-6-7-20(26-10-16)17-4-2-1-3-5-17/h1-7,10-12,15H,8-9,13-14H2,(H,27,28,30)
• InChIKey: ORKKOXDYJVZZDA-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944451) is 6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1ccc(-c3ccccc3)nc1)CC2.

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

The InChIKey is ORKKOXDYJVZZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c30-23-19-14-29(9-8-21(19)27-22(28-23)18-11-24-15-25-12-18)13-16-6-7-20(26-10-16)17-4-2-1-3-5-17/h1-7,10-12,15H,8-9,13-14H2,(H,27,28,30).

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

6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 396.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).