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

C17H21ClN4O — CID 24914775

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

6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914775) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24914775
• Molecular Formula: C17H21ClN4O
• Molecular Weight: 332.84 g/mol
• Exact Mass: 332.14
• IUPAC Name: 6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CCCc1ncc2c(n1)CCN(Cc1cnc(OC)c(Cl)c1)C2
• InChI: InChI=1S/C17H21ClN4O/c1-3-4-16-19-9-13-11-22(6-5-15(13)21-16)10-12-7-14(18)17(23-2)20-8-12/h7-9H,3-6,10-11H2,1-2H3
• InChIKey: RECRSBIGRZEKCO-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 51.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.84
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914775) is 6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1cnc(OC)c(Cl)c1)C2.

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

The InChIKey is RECRSBIGRZEKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-4-16-19-9-13-11-22(6-5-15(13)21-16)10-12-7-14(18)17(23-2)20-8-12/h7-9H,3-6,10-11H2,1-2H3.

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

6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 332.84 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).