6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

C13H15FN4 — CID 90189659

IUPAC6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(F)c(C)c2C)nc(N)n1
InChIInChI=1S/C13H15FN4/c1-7-8(2)10(14)5-4-9(7)11-6-12(16-3)18-13(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18)
InChIKeyLBPIDQSWAZPHFQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.52
Rot. Bonds2

About 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 90189659) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID90189659
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(F)c(C)c2C)nc(N)n1
InChIInChI=1S/C13H15FN4/c1-7-8(2)10(14)5-4-9(7)11-6-12(16-3)18-13(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18)
InChIKeyLBPIDQSWAZPHFQ-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine 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 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 90189659) is 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2ccc(F)c(C)c2C)nc(N)n1.
What is the InChIKey of 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is LBPIDQSWAZPHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-7-8(2)10(14)5-4-9(7)11-6-12(16-3)18-13(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18).
What are the key properties of 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 90189659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).