4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine

C9H13ClN2O — CID 61412813

IUPAC4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
SMILESCOCCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-6-7(2)11-8(4-5-13-3)12-9(6)10/h4-5H2,1-3H3
InChIKeyAJMRQVQGVBWGCF-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.94
Rot. Bonds3

About 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine

4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine (PubChem CID 61412813) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
PubChem CID61412813
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
SMILESCOCCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-6-7(2)11-8(4-5-13-3)12-9(6)10/h4-5H2,1-3H3
InChIKeyAJMRQVQGVBWGCF-UHFFFAOYSA-N
XLogP1.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine 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-(2-methoxyethyl)-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine (CID 61412813) is 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine is COCCc1nc(C)c(C)c(Cl)n1.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine?
The InChIKey is AJMRQVQGVBWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6-7(2)11-8(4-5-13-3)12-9(6)10/h4-5H2,1-3H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine?
4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine has a molecular weight of 200.67 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 61412813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).