4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine

C12H8ClF3N2O — CID 59744076

IUPAC4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine
SMILESCOc1ccc(C(F)(F)c2cc(Cl)ncn2)c(F)c1
InChIInChI=1S/C12H8ClF3N2O/c1-19-7-2-3-8(9(14)4-7)12(15,16)10-5-11(13)18-6-17-10/h2-6H,1H3
InChIKeyUXFBJBHLWRAFIJ-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine

4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine (PubChem CID 59744076) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine
PubChem CID59744076
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine
SMILESCOc1ccc(C(F)(F)c2cc(Cl)ncn2)c(F)c1
InChIInChI=1S/C12H8ClF3N2O/c1-19-7-2-3-8(9(14)4-7)12(15,16)10-5-11(13)18-6-17-10/h2-6H,1H3
InChIKeyUXFBJBHLWRAFIJ-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine 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-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
1-(2-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 103395231
4-chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001
1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 69055296
3-chloro-7-methoxyisoquinoline
CID 53425565
3-chloro-6-methoxyisoquinoline
CID 53407774
4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine
CID 115505187
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine (CID 59744076) is 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine is COc1ccc(C(F)(F)c2cc(Cl)ncn2)c(F)c1.
What is the InChIKey of 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine?
The InChIKey is UXFBJBHLWRAFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c1-19-7-2-3-8(9(14)4-7)12(15,16)10-5-11(13)18-6-17-10/h2-6H,1H3.
What are the key properties of 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine?
4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine has a molecular weight of 288.66 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine is sourced from PubChem (CID 59744076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).