4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine

C12H12BrFN4 — CID 80847198

IUPAC4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1cc(Br)cc(C)c1Nc1nc(N)ncc1F
InChIInChI=1S/C12H12BrFN4/c1-6-3-8(13)4-7(2)10(6)17-11-9(14)5-16-12(15)18-11/h3-5H,1-2H3,(H3,15,16,17,18)
InChIKeyOXDFFLYIIBHYGV-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.32
Rot. Bonds2

About 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine

4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80847198) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80847198
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1cc(Br)cc(C)c1Nc1nc(N)ncc1F
InChIInChI=1S/C12H12BrFN4/c1-6-3-8(13)4-7(2)10(6)17-11-9(14)5-16-12(15)18-11/h3-5H,1-2H3,(H3,15,16,17,18)
InChIKeyOXDFFLYIIBHYGV-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-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-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778
4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80772789
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647123
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80930862
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-3-chloropyridin-2-amine
CID 103583373
5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 80759997
4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80851369

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine (CID 80847198) is 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine is Cc1cc(Br)cc(C)c1Nc1nc(N)ncc1F.
What is the InChIKey of 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is OXDFFLYIIBHYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c1-6-3-8(13)4-7(2)10(6)17-11-9(14)5-16-12(15)18-11/h3-5H,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 311.16 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80847198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).