4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine

C21H21ClN4 — CID 44591429

IUPAC4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCC(Cc3ccccc3)C2)c1Cl
InChIInChI=1S/C21H21ClN4/c1-15-19(22)21(25-20(24-15)18-9-5-6-11-23-18)26-12-10-17(14-26)13-16-7-3-2-4-8-16/h2-9,11,17H,10,12-14H2,1H3
InChIKeyAULZAOYATYMWMK-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.57
Rot. Bonds4

About 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine

4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 44591429) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
PubChem CID44591429
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCC(Cc3ccccc3)C2)c1Cl
InChIInChI=1S/C21H21ClN4/c1-15-19(22)21(25-20(24-15)18-9-5-6-11-23-18)26-12-10-17(14-26)13-16-7-3-2-4-8-16/h2-9,11,17H,10,12-14H2,1H3
InChIKeyAULZAOYATYMWMK-UHFFFAOYSA-N
XLogP4.57
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine (CID 44591429) is 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine is Cc1nc(-c2ccccn2)nc(N2CCC(Cc3ccccc3)C2)c1Cl.
What is the InChIKey of 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is AULZAOYATYMWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4/c1-15-19(22)21(25-20(24-15)18-9-5-6-11-23-18)26-12-10-17(14-26)13-16-7-3-2-4-8-16/h2-9,11,17H,10,12-14H2,1H3.
What are the key properties of 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine?
4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 364.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 44591429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).