4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine

C13H11FN2 — CID 123994846

IUPAC4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine
SMILESC=c1ncnc(-c2cc(C)ccc2F)c1=C
InChIInChI=1S/C13H11FN2/c1-8-4-5-12(14)11(6-8)13-9(2)10(3)15-7-16-13/h4-7H,2-3H2,1H3
InChIKeyMFLMBVSUIBRVGK-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.41
Rot. Bonds1

About 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine

4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine (PubChem CID 123994846) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine
PubChem CID123994846
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine
SMILESC=c1ncnc(-c2cc(C)ccc2F)c1=C
InChIInChI=1S/C13H11FN2/c1-8-4-5-12(14)11(6-8)13-9(2)10(3)15-7-16-13/h4-7H,2-3H2,1H3
InChIKeyMFLMBVSUIBRVGK-UHFFFAOYSA-N
XLogP1.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine 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

6-(2-fluoro-5-methylphenyl)-7H-purine
CID 56859242
4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 56723622
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine
CID 118637915
5-(2-fluoro-5-methylphenyl)pyrazin-2-amine
CID 56715716
6-(2-fluoro-5-methylphenyl)pyridin-3-ol
CID 53229218
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
CID 134617358
4-(2-fluoro-5-methylphenyl)pyridine
CID 46317281
2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974700
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
2-ethenyl-5-(2-fluoro-5-methylphenyl)pyridine
CID 118637902
6-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one
CID 106514209

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine (CID 123994846) is 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine is C=c1ncnc(-c2cc(C)ccc2F)c1=C.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine?
The InChIKey is MFLMBVSUIBRVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2/c1-8-4-5-12(14)11(6-8)13-9(2)10(3)15-7-16-13/h4-7H,2-3H2,1H3.
What are the key properties of 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine?
4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine has a molecular weight of 214.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine is sourced from PubChem (CID 123994846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).