4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine

C15H16ClN3O — CID 114937710

IUPAC4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
SMILESCOc1ccc(-c2nc(Cl)cc(C3CCCC3)n2)cn1
InChIInChI=1S/C15H16ClN3O/c1-20-14-7-6-11(9-17-14)15-18-12(8-13(16)19-15)10-4-2-3-5-10/h6-10H,2-5H2,1H3
InChIKeyYIYHXGHXBQJSEY-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.86
Rot. Bonds3

About 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine

4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine (PubChem CID 114937710) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
PubChem CID114937710
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
SMILESCOc1ccc(-c2nc(Cl)cc(C3CCCC3)n2)cn1
InChIInChI=1S/C15H16ClN3O/c1-20-14-7-6-11(9-17-14)15-18-12(8-13(16)19-15)10-4-2-3-5-10/h6-10H,2-5H2,1H3
InChIKeyYIYHXGHXBQJSEY-UHFFFAOYSA-N
XLogP3.86
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366
4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
CID 102949860
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine
CID 104816928
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
CID 63355064
5-cyclopentyl-2-methoxypyridine
CID 102520175
4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
CID 113390238
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
CID 55203209
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572477
2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67055603
6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938417
4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 113390310

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine (CID 114937710) is 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine is COc1ccc(-c2nc(Cl)cc(C3CCCC3)n2)cn1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine?
The InChIKey is YIYHXGHXBQJSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-20-14-7-6-11(9-17-14)15-18-12(8-13(16)19-15)10-4-2-3-5-10/h6-10H,2-5H2,1H3.
What are the key properties of 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine?
4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine has a molecular weight of 289.77 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine is sourced from PubChem (CID 114937710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).