4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine

C12H11BrClFN4O — CID 107617734

IUPAC4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2c(Cl)cc(F)cc2Br)c1OC
InChIInChI=1S/C12H11BrClFN4O/c1-16-11-10(20-2)12(18-5-17-11)19-9-7(13)3-6(15)4-8(9)14/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyCWGKYTBGYMPXCG-UHFFFAOYSA-N
MW361.60 g/mol
LogP3.83
Rot. Bonds4

About 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine

4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine (PubChem CID 107617734) has the molecular formula C12H11BrClFN4O and a molecular weight of 361.60 g/mol. Its IUPAC name is 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
PubChem CID107617734
Molecular FormulaC12H11BrClFN4O
Molecular Weight361.60 g/mol
Exact Mass359.98
IUPAC Name4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2c(Cl)cc(F)cc2Br)c1OC
InChIInChI=1S/C12H11BrClFN4O/c1-16-11-10(20-2)12(18-5-17-11)19-9-7(13)3-6(15)4-8(9)14/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyCWGKYTBGYMPXCG-UHFFFAOYSA-N
XLogP3.83
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-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

Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 107614909
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107617760
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82822681
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 107614914
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 107371208
2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 107610436
4-N-(4-chloro-2-iodophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107639119
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617728
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
4-N-(2,6-dichloro-4-fluorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 83078014
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine (CID 107617734) is 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine is CNc1ncnc(Nc2c(Cl)cc(F)cc2Br)c1OC.
What is the InChIKey of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is CWGKYTBGYMPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN4O/c1-16-11-10(20-2)12(18-5-17-11)19-9-7(13)3-6(15)4-8(9)14/h3-5H,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 361.60 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107617734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).