3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C29H29N3O2 — CID 59314671

About 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 59314671) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 59314671
• Molecular Formula: C29H29N3O2
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.23
• IUPAC Name: 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
• SMILES: COC1CN(Cc2ccccc2)Cc2c1nc(C)n(C(c1ccccc1)c1ccccc1)c2=O
• InChI: InChI=1S/C29H29N3O2/c1-21-30-27-25(19-31(20-26(27)34-2)18-22-12-6-3-7-13-22)29(33)32(21)28(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,26,28H,18-20H2,1-2H3
• InChIKey: GCIPQTHJCHKAEJ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 47.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 59314671) is 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is COC1CN(Cc2ccccc2)Cc2c1nc(C)n(C(c1ccccc1)c1ccccc1)c2=O.

What is the InChIKey of 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is GCIPQTHJCHKAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-21-30-27-25(19-31(20-26(27)34-2)18-22-12-6-3-7-13-22)29(33)32(21)28(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,26,28H,18-20H2,1-2H3.

What are the key properties of 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 451.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 59314671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).