2-(chloromethyl)-4-ethyl-6-fluoropyrimidine

C7H8ClFN2 — CID 164652144

IUPAC2-(chloromethyl)-4-ethyl-6-fluoropyrimidine
SMILESCCc1cc(F)nc(CCl)n1
InChIInChI=1S/C7H8ClFN2/c1-2-5-3-6(9)11-7(4-8)10-5/h3H,2,4H2,1H3
InChIKeyNSZZRCNZHPIMEC-UHFFFAOYSA-N
MW174.61 g/mol
LogP1.92
Rot. Bonds2

About 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine

2-(chloromethyl)-4-ethyl-6-fluoropyrimidine (PubChem CID 164652144) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-ethyl-6-fluoropyrimidine
PubChem CID164652144
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name2-(chloromethyl)-4-ethyl-6-fluoropyrimidine
SMILESCCc1cc(F)nc(CCl)n1
InChIInChI=1S/C7H8ClFN2/c1-2-5-3-6(9)11-7(4-8)10-5/h3H,2,4H2,1H3
InChIKeyNSZZRCNZHPIMEC-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine 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-(chloromethyl)-4-fluoro-6-methylpyrimidine
CID 155921169
2-(chloromethyl)-4-ethyl-6-methoxypyrimidine
CID 13153412
4-chloro-2,6-diethylpyrimidine
CID 43557605
(4-chloro-6-ethylpyrimidin-2-yl)methanamine
CID 55262955
4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
CID 79421610
4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine
CID 63891277
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669
2,4-diethyl-6-methylpyrimidine
CID 45080276
4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine
CID 61412759
4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine
CID 65134034
4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine
CID 164648918
2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
CID 65133411

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine?
The IUPAC name of 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine (CID 164652144) is 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine is CCc1cc(F)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine?
The InChIKey is NSZZRCNZHPIMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-2-5-3-6(9)11-7(4-8)10-5/h3H,2,4H2,1H3.
What are the key properties of 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine?
2-(chloromethyl)-4-ethyl-6-fluoropyrimidine has a molecular weight of 174.61 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-ethyl-6-fluoropyrimidine is sourced from PubChem (CID 164652144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).