2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine

C8H8ClFN2O — CID 58252174

IUPAC2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine
SMILESCOc1nc(Cl)nc(C2CC2)c1F
InChIInChI=1S/C8H8ClFN2O/c1-13-7-5(10)6(4-2-3-4)11-8(9)12-7/h4H,2-3H2,1H3
InChIKeyASSKHPUMARKLEX-UHFFFAOYSA-N
MW202.62 g/mol
LogP2.16
Rot. Bonds2

About 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine

2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine (PubChem CID 58252174) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine
PubChem CID58252174
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine
SMILESCOc1nc(Cl)nc(C2CC2)c1F
InChIInChI=1S/C8H8ClFN2O/c1-13-7-5(10)6(4-2-3-4)11-8(9)12-7/h4H,2-3H2,1H3
InChIKeyASSKHPUMARKLEX-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine 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

5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
[2-(Acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate
CID 56658402
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
2-Chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine
CID 58252163
2-Chloro-4-ethyl-5-fluoro-6-methoxypyrimidine
CID 58252166
2-Chloro-5-fluoro-4-methoxy-6-propylpyrimidine
CID 58252170
O-(6-tert-butyl-2-chloro-5-fluoropyrimidin-4-yl) methanethioate
CID 87338820
(6-Tert-butyl-2-chloro-5-fluoropyrimidin-4-yl)oxymethanethiol
CID 87338821
4-Cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine
CID 89037245
4-Cyclopropyl-5-fluoro-6-methoxy-2-propan-2-ylpyrimidine
CID 89935529
4-Cyclopropyl-5-fluoro-6-methoxy-2-methylpyrimidine
CID 89945906

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine?
The IUPAC name of 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine (CID 58252174) is 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine.
What is the SMILES notation for 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine?
The canonical SMILES for 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine is COc1nc(Cl)nc(C2CC2)c1F.
What is the InChIKey of 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine?
The InChIKey is ASSKHPUMARKLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c1-13-7-5(10)6(4-2-3-4)11-8(9)12-7/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine?
2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine has a molecular weight of 202.62 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine is sourced from PubChem (CID 58252174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).