4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H10BrFN4 — CID 104782032

IUPAC4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H10BrFN4/c1-14-11-15-5-4-10(17-11)16-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyNOPVPCRGYUVAPH-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.16
Rot. Bonds3

About 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 104782032) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID104782032
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H10BrFN4/c1-14-11-15-5-4-10(17-11)16-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyNOPVPCRGYUVAPH-UHFFFAOYSA-N
XLogP3.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-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

4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
4-N-(3-bromo-4-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565780
4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761660
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107580704
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
2-N-(2-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 112904141
4-N-(4-tert-butylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112903406
6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
CID 104775528

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 104782032) is 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is NOPVPCRGYUVAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-14-11-15-5-4-10(17-11)16-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 297.13 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 104782032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).