4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine

C13H19ClN2O — CID 116502401

IUPAC4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine
SMILESCOCC(C)c1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C13H19ClN2O/c1-9(8-17-2)13-15-11(7-12(14)16-13)10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyXVYVMMAKCGGLIF-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine

4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine (PubChem CID 116502401) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine
PubChem CID116502401
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine
SMILESCOCC(C)c1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C13H19ClN2O/c1-9(8-17-2)13-15-11(7-12(14)16-13)10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyXVYVMMAKCGGLIF-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine 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-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine (CID 116502401) is 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine is COCC(C)c1nc(Cl)cc(C2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine?
The InChIKey is XVYVMMAKCGGLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(8-17-2)13-15-11(7-12(14)16-13)10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine?
4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 116502401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).