2-(chloromethyl)-4,6-dimethoxypyrimidine

C7H9ClN2O2 — CID 10965279

IUPAC2-(chloromethyl)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(CCl)n1
InChIInChI=1S/C7H9ClN2O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,4H2,1-2H3
InChIKeyBWCCPOQIMGGGQX-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.23
Rot. Bonds3

About 2-(chloromethyl)-4,6-dimethoxypyrimidine

2-(chloromethyl)-4,6-dimethoxypyrimidine (PubChem CID 10965279) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-dimethoxypyrimidine
PubChem CID10965279
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-(chloromethyl)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(CCl)n1
InChIInChI=1S/C7H9ClN2O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,4H2,1-2H3
InChIKeyBWCCPOQIMGGGQX-UHFFFAOYSA-N
XLogP1.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4,6-dimethoxypyrimidine 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

2-Amino-4,6-dimethoxypyrimidine
CID 118946
2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
4-Chloro-2,6-dimethoxypyrimidine
CID 80600
4,6-Dimethoxypyrimidine-2-carbonitrile
CID 21466113
2,4,6-Trimethoxypyrimidine
CID 726938
2-Chloro-4,6-dimethoxypyrimidine
CID 5152323
2,4-Dichloro-6-methoxypyrimidine
CID 3824509
4,6-Dimethoxy-2-methylthiopyrimidine
CID 2746756
6-Methoxy-2-methylpyrimidin-4-amine
CID 549435
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
1-(4,6-Dimethoxypyrimidin-2-yl)propan-2-one
CID 11264052

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-dimethoxypyrimidine?
The IUPAC name of 2-(chloromethyl)-4,6-dimethoxypyrimidine (CID 10965279) is 2-(chloromethyl)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-(chloromethyl)-4,6-dimethoxypyrimidine is COc1cc(OC)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4,6-dimethoxypyrimidine?
The InChIKey is BWCCPOQIMGGGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,4H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4,6-dimethoxypyrimidine?
2-(chloromethyl)-4,6-dimethoxypyrimidine has a molecular weight of 188.61 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 10965279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).