4-(3,4-difluorophenyl)-6-ethylpyrimidine

C12H10F2N2 — CID 57247663

IUPAC4-(3,4-difluorophenyl)-6-ethylpyrimidine
SMILESCCc1cc(-c2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C12H10F2N2/c1-2-9-6-12(16-7-15-9)8-3-4-10(13)11(14)5-8/h3-7H,2H2,1H3
InChIKeyNSUWWBRAJSXKBA-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.98
Rot. Bonds2

About 4-(3,4-difluorophenyl)-6-ethylpyrimidine

4-(3,4-difluorophenyl)-6-ethylpyrimidine (PubChem CID 57247663) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-6-ethylpyrimidine
PubChem CID57247663
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name4-(3,4-difluorophenyl)-6-ethylpyrimidine
SMILESCCc1cc(-c2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C12H10F2N2/c1-2-9-6-12(16-7-15-9)8-3-4-10(13)11(14)5-8/h3-7H,2H2,1H3
InChIKeyNSUWWBRAJSXKBA-UHFFFAOYSA-N
XLogP2.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-difluorophenyl)-6-ethylpyrimidine 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

4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane
CID 144518924
2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
CID 83849204
3,4-difluoro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122263214
6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine
CID 80936673
2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
CID 83850617
2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine
CID 175241217
4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine
CID 82487191
4,6-diethylpyrimidine;N-methylmethanamine
CID 67760637
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604
[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride
CID 82022750
4-phenyl-6-propylpyrimidine
CID 13153439

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-6-ethylpyrimidine?
The IUPAC name of 4-(3,4-difluorophenyl)-6-ethylpyrimidine (CID 57247663) is 4-(3,4-difluorophenyl)-6-ethylpyrimidine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-6-ethylpyrimidine?
The canonical SMILES for 4-(3,4-difluorophenyl)-6-ethylpyrimidine is CCc1cc(-c2ccc(F)c(F)c2)ncn1.
What is the InChIKey of 4-(3,4-difluorophenyl)-6-ethylpyrimidine?
The InChIKey is NSUWWBRAJSXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c1-2-9-6-12(16-7-15-9)8-3-4-10(13)11(14)5-8/h3-7H,2H2,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-6-ethylpyrimidine?
4-(3,4-difluorophenyl)-6-ethylpyrimidine has a molecular weight of 220.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-6-ethylpyrimidine is sourced from PubChem (CID 57247663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).