4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine

C15H22ClN3 — CID 80663771

IUPAC4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CN2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H22ClN3/c1-11-9-14(16)18-15(17-11)10-19-8-4-7-13(19)12-5-2-3-6-12/h9,12-13H,2-8,10H2,1H3
InChIKeyZNGNGBUXJSFGJJ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.59
Rot. Bonds3

About 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine

4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine (PubChem CID 80663771) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
PubChem CID80663771
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CN2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H22ClN3/c1-11-9-14(16)18-15(17-11)10-19-8-4-7-13(19)12-5-2-3-6-12/h9,12-13H,2-8,10H2,1H3
InChIKeyZNGNGBUXJSFGJJ-UHFFFAOYSA-N
XLogP3.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine 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-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine (CID 80663771) is 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine is Cc1cc(Cl)nc(CN2CCCC2C2CCCC2)n1.
What is the InChIKey of 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine?
The InChIKey is ZNGNGBUXJSFGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11-9-14(16)18-15(17-11)10-19-8-4-7-13(19)12-5-2-3-6-12/h9,12-13H,2-8,10H2,1H3.
What are the key properties of 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine?
4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine has a molecular weight of 279.81 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine is sourced from PubChem (CID 80663771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).