5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine

C11H9ClF2N4 — CID 103587802

IUPAC5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(F)c(Nc2nc(N)ncc2Cl)cc1F
InChIInChI=1S/C11H9ClF2N4/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(15)18-10/h2-4H,1H3,(H3,15,16,17,18)
InChIKeyHWCDVXYEQIBTBZ-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.04
Rot. Bonds2

About 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 103587802) has the molecular formula C11H9ClF2N4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID103587802
Molecular FormulaC11H9ClF2N4
Molecular Weight270.67 g/mol
Exact Mass270.05
IUPAC Name5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(F)c(Nc2nc(N)ncc2Cl)cc1F
InChIInChI=1S/C11H9ClF2N4/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(15)18-10/h2-4H,1H3,(H3,15,16,17,18)
InChIKeyHWCDVXYEQIBTBZ-UHFFFAOYSA-N
XLogP3.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-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 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine (CID 103587802) is 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine is Cc1cc(F)c(Nc2nc(N)ncc2Cl)cc1F.
What is the InChIKey of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HWCDVXYEQIBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(15)18-10/h2-4H,1H3,(H3,15,16,17,18).
What are the key properties of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 270.67 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103587802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).