5-(chloromethyl)-4-methoxy-2-methylpyrimidine

C7H9ClN2O — CID 130484813

IUPAC5-(chloromethyl)-4-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)ncc1CCl
InChIInChI=1S/C7H9ClN2O/c1-5-9-4-6(3-8)7(10-5)11-2/h4H,3H2,1-2H3
InChIKeySCKJKVHKYAKMKY-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.53
Rot. Bonds2

About 5-(chloromethyl)-4-methoxy-2-methylpyrimidine

5-(chloromethyl)-4-methoxy-2-methylpyrimidine (PubChem CID 130484813) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methoxy-2-methylpyrimidine
PubChem CID130484813
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name5-(chloromethyl)-4-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)ncc1CCl
InChIInChI=1S/C7H9ClN2O/c1-5-9-4-6(3-8)7(10-5)11-2/h4H,3H2,1-2H3
InChIKeySCKJKVHKYAKMKY-UHFFFAOYSA-N
XLogP1.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-4-methoxy-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
4-Methoxy-2-methylpyrimidine
CID 535905
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704
5-Ethynyl-2,4-dimethoxypyrimidine
CID 5273946
2-Chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
CID 57396909
4-Methoxy-5-methylpyrimidine
CID 13861006
2,4-Dimethoxy-5-(trifluoromethyl)pyrimidine
CID 21732778
2-Chloro-4-ethoxy-5-methylpyrimidine
CID 14874945
(NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine
CID 135080134
5-Fluoro-4-methoxy-2-methylpyrimidine
CID 57998989
2-Chloro-4-methoxy-5-(trifluoromethyl)pyrimidine
CID 77231068

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methoxy-2-methylpyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methoxy-2-methylpyrimidine (CID 130484813) is 5-(chloromethyl)-4-methoxy-2-methylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methoxy-2-methylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methoxy-2-methylpyrimidine is COc1nc(C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methoxy-2-methylpyrimidine?
The InChIKey is SCKJKVHKYAKMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-5-9-4-6(3-8)7(10-5)11-2/h4H,3H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-methoxy-2-methylpyrimidine?
5-(chloromethyl)-4-methoxy-2-methylpyrimidine has a molecular weight of 172.61 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methoxy-2-methylpyrimidine is sourced from PubChem (CID 130484813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).