4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine

C11H9F2N3 — CID 39819363

IUPAC4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C11H9F2N3/c1-6-4-10(16-11(14)15-6)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyTVADNVQPXZTZPU-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.31
Rot. Bonds1

About 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine

4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine (PubChem CID 39819363) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
PubChem CID39819363
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C11H9F2N3/c1-6-4-10(16-11(14)15-6)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyTVADNVQPXZTZPU-UHFFFAOYSA-N
XLogP2.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine 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-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine (CID 39819363) is 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine is Cc1cc(-c2ccc(F)c(F)c2)nc(N)n1.
What is the InChIKey of 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine?
The InChIKey is TVADNVQPXZTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c1-6-4-10(16-11(14)15-6)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine?
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine has a molecular weight of 221.21 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 39819363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).