5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine

C13H13BrFN3 — CID 66304873

IUPAC5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(F)ccc2C)nc(C)c1Br
InChIInChI=1S/C13H13BrFN3/c1-7-4-5-9(15)6-10(7)12-17-8(2)11(14)13(16-3)18-12/h4-6H,1-3H3,(H,16,17,18)
InChIKeyZZTDBVYPDFZFGN-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.70
Rot. Bonds2

About 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine

5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 66304873) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID66304873
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(F)ccc2C)nc(C)c1Br
InChIInChI=1S/C13H13BrFN3/c1-7-4-5-9(15)6-10(7)12-17-8(2)11(14)13(16-3)18-12/h4-6H,1-3H3,(H,16,17,18)
InChIKeyZZTDBVYPDFZFGN-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66302387
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
5-bromo-4,6-dichloro-2-(5-fluoro-2-methylphenyl)pyrimidine
CID 66314548
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine
CID 64981111
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 55067572
5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226
2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 62389112
2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62388957
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine (CID 66304873) is 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cc(F)ccc2C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ZZTDBVYPDFZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-7-4-5-9(15)6-10(7)12-17-8(2)11(14)13(16-3)18-12/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 310.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66304873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).