2-chloro-4,5-diethyl-6-methylpyrimidine

C9H13ClN2 — CID 155686934

IUPAC2-chloro-4,5-diethyl-6-methylpyrimidine
SMILESCCc1nc(Cl)nc(C)c1CC
InChIInChI=1S/C9H13ClN2/c1-4-7-6(3)11-9(10)12-8(7)5-2/h4-5H2,1-3H3
InChIKeyJAGSFCNHTCQZQN-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.56
Rot. Bonds2

About 2-chloro-4,5-diethyl-6-methylpyrimidine

2-chloro-4,5-diethyl-6-methylpyrimidine (PubChem CID 155686934) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-4,5-diethyl-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4,5-diethyl-6-methylpyrimidine
PubChem CID155686934
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-chloro-4,5-diethyl-6-methylpyrimidine
SMILESCCc1nc(Cl)nc(C)c1CC
InChIInChI=1S/C9H13ClN2/c1-4-7-6(3)11-9(10)12-8(7)5-2/h4-5H2,1-3H3
InChIKeyJAGSFCNHTCQZQN-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4,5-diethyl-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 2-chloro-4,5-diethyl-6-methylpyrimidine?
The IUPAC name of 2-chloro-4,5-diethyl-6-methylpyrimidine (CID 155686934) is 2-chloro-4,5-diethyl-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4,5-diethyl-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4,5-diethyl-6-methylpyrimidine is CCc1nc(Cl)nc(C)c1CC.
What is the InChIKey of 2-chloro-4,5-diethyl-6-methylpyrimidine?
The InChIKey is JAGSFCNHTCQZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-4-7-6(3)11-9(10)12-8(7)5-2/h4-5H2,1-3H3.
What are the key properties of 2-chloro-4,5-diethyl-6-methylpyrimidine?
2-chloro-4,5-diethyl-6-methylpyrimidine has a molecular weight of 184.67 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-diethyl-6-methylpyrimidine is sourced from PubChem (CID 155686934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).