2-chloro-4-(2-methylpentan-2-yl)pyrimidine

C10H15ClN2 — CID 167262653

IUPAC2-chloro-4-(2-methylpentan-2-yl)pyrimidine
SMILESCCCC(C)(C)c1ccnc(Cl)n1
InChIInChI=1S/C10H15ClN2/c1-4-6-10(2,3)8-5-7-12-9(11)13-8/h5,7H,4,6H2,1-3H3
InChIKeyIVHHIROJDZGECB-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-4-(2-methylpentan-2-yl)pyrimidine

2-chloro-4-(2-methylpentan-2-yl)pyrimidine (PubChem CID 167262653) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpentan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpentan-2-yl)pyrimidine
PubChem CID167262653
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-chloro-4-(2-methylpentan-2-yl)pyrimidine
SMILESCCCC(C)(C)c1ccnc(Cl)n1
InChIInChI=1S/C10H15ClN2/c1-4-6-10(2,3)8-5-7-12-9(11)13-8/h5,7H,4,6H2,1-3H3
InChIKeyIVHHIROJDZGECB-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(2-methylpentan-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 2-chloro-4-(2-methylpentan-2-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methylpentan-2-yl)pyrimidine (CID 167262653) is 2-chloro-4-(2-methylpentan-2-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylpentan-2-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylpentan-2-yl)pyrimidine is CCCC(C)(C)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methylpentan-2-yl)pyrimidine?
The InChIKey is IVHHIROJDZGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-4-6-10(2,3)8-5-7-12-9(11)13-8/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-chloro-4-(2-methylpentan-2-yl)pyrimidine?
2-chloro-4-(2-methylpentan-2-yl)pyrimidine has a molecular weight of 198.70 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpentan-2-yl)pyrimidine is sourced from PubChem (CID 167262653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).