6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine

C12H10BrClFN3 — CID 106763662

IUPAC6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(-c2ccc(Br)c(Cl)c2F)c1C
InChIInChI=1S/C12H10BrClFN3/c1-6-11(17-5-18-12(6)16-2)7-3-4-8(13)9(14)10(7)15/h3-5H,1-2H3,(H,16,17,18)
InChIKeyFTENSWPBMTWDQH-UHFFFAOYSA-N
MW330.59 g/mol
LogP4.05
Rot. Bonds2

About 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine

6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 106763662) has the molecular formula C12H10BrClFN3 and a molecular weight of 330.59 g/mol. Its IUPAC name is 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID106763662
Molecular FormulaC12H10BrClFN3
Molecular Weight330.59 g/mol
Exact Mass328.97
IUPAC Name6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(-c2ccc(Br)c(Cl)c2F)c1C
InChIInChI=1S/C12H10BrClFN3/c1-6-11(17-5-18-12(6)16-2)7-3-4-8(13)9(14)10(7)15/h3-5H,1-2H3,(H,16,17,18)
InChIKeyFTENSWPBMTWDQH-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-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

Related Compounds

4-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-5-methylpyrimidin-2-amine
CID 106763725
6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 106646843
2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol
CID 106763882
1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 106763208
4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107794917
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine
CID 107290483
N,5-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 113324602
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829
4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 106763727
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
3-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 106763461
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 79742436

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine (CID 106763662) is 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(-c2ccc(Br)c(Cl)c2F)c1C.
What is the InChIKey of 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is FTENSWPBMTWDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3/c1-6-11(17-5-18-12(6)16-2)7-3-4-8(13)9(14)10(7)15/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine?
6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 330.59 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 106763662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).