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

C18H21ClN4 — CID 92572923

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

6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92572923) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 92572923
• Molecular Formula: C18H21ClN4
• Molecular Weight: 328.85 g/mol
• Exact Mass: 328.15
• IUPAC Name: 6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccccc1CN1CCc2nc([C@H]3CCCN3)ncc2C1
• InChI: InChI=1S/C18H21ClN4/c19-15-5-2-1-4-13(15)11-23-9-7-16-14(12-23)10-21-18(22-16)17-6-3-8-20-17/h1-2,4-5,10,17,20H,3,6-9,11-12H2/t17-/m1/s1
• InChIKey: QPJMWFNXOIBNRF-QGZVFWFLSA-N
• XLogP: 3.11
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.85
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92572923) is 6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccccc1CN1CCc2nc([C@H]3CCCN3)ncc2C1.

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

The InChIKey is QPJMWFNXOIBNRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21ClN4/c19-15-5-2-1-4-13(15)11-23-9-7-16-14(12-23)10-21-18(22-16)17-6-3-8-20-17/h1-2,4-5,10,17,20H,3,6-9,11-12H2/t17-/m1/s1.

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

6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 328.85 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92572923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).