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

C22H25N5 — CID 24912612

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

6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912612) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24912612
• Molecular Formula: C22H25N5
• Molecular Weight: 359.48 g/mol
• Exact Mass: 359.21
• IUPAC Name: 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CCCc1ncc2c(n1)CCN(Cc1cnc(-c3ccccc3)nc1C)C2
• InChI: InChI=1S/C22H25N5/c1-3-7-21-23-13-19-15-27(11-10-20(19)26-21)14-18-12-24-22(25-16(18)2)17-8-5-4-6-9-17/h4-6,8-9,12-13H,3,7,10-11,14-15H2,1-2H3
• InChIKey: MKQKSCGRCVFPED-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 54.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.48
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912612) is 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1cnc(-c3ccccc3)nc1C)C2.

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

The InChIKey is MKQKSCGRCVFPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-3-7-21-23-13-19-15-27(11-10-20(19)26-21)14-18-12-24-22(25-16(18)2)17-8-5-4-6-9-17/h4-6,8-9,12-13H,3,7,10-11,14-15H2,1-2H3.

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

6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 359.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).