4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine

C8H9Cl2FN2O — CID 116502398

IUPAC4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine
SMILESCOCC(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2O/c1-4(3-14-2)8-12-6(9)5(11)7(10)13-8/h4H,3H2,1-2H3
InChIKeyFWXZZERQKMYORJ-UHFFFAOYSA-N
MW239.08 g/mol
LogP2.67
Rot. Bonds3

About 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine

4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine (PubChem CID 116502398) has the molecular formula C8H9Cl2FN2O and a molecular weight of 239.08 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine
PubChem CID116502398
Molecular FormulaC8H9Cl2FN2O
Molecular Weight239.08 g/mol
Exact Mass238.01
IUPAC Name4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine
SMILESCOCC(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2O/c1-4(3-14-2)8-12-6(9)5(11)7(10)13-8/h4H,3H2,1-2H3
InChIKeyFWXZZERQKMYORJ-UHFFFAOYSA-N
XLogP2.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine 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 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine (CID 116502398) is 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine is COCC(C)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine?
The InChIKey is FWXZZERQKMYORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2O/c1-4(3-14-2)8-12-6(9)5(11)7(10)13-8/h4H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine has a molecular weight of 239.08 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(1-methoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 116502398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).