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

C22H25N3S — CID 24915594

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

6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915594) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is 6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915594
• Molecular Formula: C22H25N3S
• Molecular Weight: 363.53 g/mol
• Exact Mass: 363.18
• IUPAC Name: 6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CCCc1ncc2c(n1)CCN(Cc1ccc(-c3ccccc3C)s1)C2
• InChI: InChI=1S/C22H25N3S/c1-3-6-22-23-13-17-14-25(12-11-20(17)24-22)15-18-9-10-21(26-18)19-8-5-4-7-16(19)2/h4-5,7-10,13H,3,6,11-12,14-15H2,1-2H3
• InChIKey: ALPPVFGOAQTBBD-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 29.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.53
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915594) is 6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1ccc(-c3ccccc3C)s1)C2.

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

The InChIKey is ALPPVFGOAQTBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-3-6-22-23-13-17-14-25(12-11-20(17)24-22)15-18-9-10-21(26-18)19-8-5-4-7-16(19)2/h4-5,7-10,13H,3,6,11-12,14-15H2,1-2H3.

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

6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 363.53 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).