4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine

C9H13ClN2 — CID 117260673

IUPAC4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine
SMILESCc1ncc(CC(C)C)c(Cl)n1
InChIInChI=1S/C9H13ClN2/c1-6(2)4-8-5-11-7(3)12-9(8)10/h5-6H,4H2,1-3H3
InChIKeyGNVLVMNPDUMPDL-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine

4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine (PubChem CID 117260673) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine
PubChem CID117260673
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine
SMILESCc1ncc(CC(C)C)c(Cl)n1
InChIInChI=1S/C9H13ClN2/c1-6(2)4-8-5-11-7(3)12-9(8)10/h5-6H,4H2,1-3H3
InChIKeyGNVLVMNPDUMPDL-UHFFFAOYSA-N
XLogP2.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-methyl-5-(2-methylpropyl)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-2-methyl-5-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine (CID 117260673) is 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine is Cc1ncc(CC(C)C)c(Cl)n1.
What is the InChIKey of 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine?
The InChIKey is GNVLVMNPDUMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(2)4-8-5-11-7(3)12-9(8)10/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine?
4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine has a molecular weight of 184.67 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 117260673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).