2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H21N3S — CID 24913489

About 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913489) has the molecular formula C24H21N3S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24913489
• Molecular Formula: C24H21N3S
• Molecular Weight: 383.52 g/mol
• Exact Mass: 383.15
• IUPAC Name: 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1ccc(-c2csc(CN3CCc4nc(-c5ccccc5)ncc4C3)c2)cc1
• InChI: InChI=1S/C24H21N3S/c1-3-7-18(8-4-1)20-13-22(28-17-20)16-27-12-11-23-21(15-27)14-25-24(26-23)19-9-5-2-6-10-19/h1-10,13-14,17H,11-12,15-16H2
• InChIKey: PVSFDFJCEXVGLI-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 29.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.52
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913489) is 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc(-c2csc(CN3CCc4nc(-c5ccccc5)ncc4C3)c2)cc1.

What is the InChIKey of 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is PVSFDFJCEXVGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3S/c1-3-7-18(8-4-1)20-13-22(28-17-20)16-27-12-11-23-21(15-27)14-25-24(26-23)19-9-5-2-6-10-19/h1-10,13-14,17H,11-12,15-16H2.

What are the key properties of 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 383.52 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).