5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine

C11H7BrClF2N3 — CID 82820362

IUPAC5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(F)c(Nc2nc(Cl)ncc2Br)c1F
InChIInChI=1S/C11H7BrClF2N3/c1-5-2-3-7(14)9(8(5)15)17-10-6(12)4-16-11(13)18-10/h2-4H,1H3,(H,16,17,18)
InChIKeyCUNCVJIBBTUSPE-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.22
Rot. Bonds2

About 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine (PubChem CID 82820362) has the molecular formula C11H7BrClF2N3 and a molecular weight of 334.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
PubChem CID82820362
Molecular FormulaC11H7BrClF2N3
Molecular Weight334.55 g/mol
Exact Mass332.95
IUPAC Name5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(F)c(Nc2nc(Cl)ncc2Br)c1F
InChIInChI=1S/C11H7BrClF2N3/c1-5-2-3-7(14)9(8(5)15)17-10-6(12)4-16-11(13)18-10/h2-4H,1H3,(H,16,17,18)
InChIKeyCUNCVJIBBTUSPE-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-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 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine (CID 82820362) is 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine is Cc1ccc(F)c(Nc2nc(Cl)ncc2Br)c1F.
What is the InChIKey of 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine?
The InChIKey is CUNCVJIBBTUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF2N3/c1-5-2-3-7(14)9(8(5)15)17-10-6(12)4-16-11(13)18-10/h2-4H,1H3,(H,16,17,18).
What are the key properties of 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine has a molecular weight of 334.55 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 82820362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).