4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine

C12H11ClF2N4 — CID 83082901

IUPAC4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2c(F)cc(F)cc2Cl)nc(C)n1
InChIInChI=1S/C12H11ClF2N4/c1-6-17-10(16-2)5-11(18-6)19-12-8(13)3-7(14)4-9(12)15/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyKWLHRBTYYOSTKW-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.50
Rot. Bonds3

About 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine

4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 83082901) has the molecular formula C12H11ClF2N4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID83082901
Molecular FormulaC12H11ClF2N4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2c(F)cc(F)cc2Cl)nc(C)n1
InChIInChI=1S/C12H11ClF2N4/c1-6-17-10(16-2)5-11(18-6)19-12-8(13)3-7(14)4-9(12)15/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyKWLHRBTYYOSTKW-UHFFFAOYSA-N
XLogP3.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-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 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine (CID 83082901) is 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine is CNc1cc(Nc2c(F)cc(F)cc2Cl)nc(C)n1.
What is the InChIKey of 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is KWLHRBTYYOSTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4/c1-6-17-10(16-2)5-11(18-6)19-12-8(13)3-7(14)4-9(12)15/h3-5H,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 284.70 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 83082901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).