6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine

C10H7BrClFN4 — CID 116797532

IUPAC6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(Nc2c(F)cccc2Cl)n1
InChIInChI=1S/C10H7BrClFN4/c11-7-4-8(14)16-10(15-7)17-9-5(12)2-1-3-6(9)13/h1-4H,(H3,14,15,16,17)
InChIKeyDVFJSQPRWXTNRT-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.36
Rot. Bonds2

About 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine

6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 116797532) has the molecular formula C10H7BrClFN4 and a molecular weight of 317.55 g/mol. Its IUPAC name is 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID116797532
Molecular FormulaC10H7BrClFN4
Molecular Weight317.55 g/mol
Exact Mass315.95
IUPAC Name6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(Nc2c(F)cccc2Cl)n1
InChIInChI=1S/C10H7BrClFN4/c11-7-4-8(14)16-10(15-7)17-9-5(12)2-1-3-6(9)13/h1-4H,(H3,14,15,16,17)
InChIKeyDVFJSQPRWXTNRT-UHFFFAOYSA-N
XLogP3.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-N-(2-chloro-6-fluorophenyl)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

Related Compounds

6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
3-bromo-5-chloro-N-(2-chloro-6-fluorophenyl)pyridin-2-amine
CID 114837428
6-bromo-2-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 116796336
2-chloro-6-fluoro-N-phenylaniline
CID 18546408
3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine
CID 105368107
1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
CID 107596742
6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116795396
6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 116796989
5-bromo-4-N-(2-chloro-6-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114072824
6-chloro-N-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716226
6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 116796810
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330623

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine (CID 116797532) is 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine is Nc1cc(Br)nc(Nc2c(F)cccc2Cl)n1.
What is the InChIKey of 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is DVFJSQPRWXTNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN4/c11-7-4-8(14)16-10(15-7)17-9-5(12)2-1-3-6(9)13/h1-4H,(H3,14,15,16,17).
What are the key properties of 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 317.55 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).