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

C13H14BrN3 — CID 611317

IUPACN-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1ccc(Nc2nc(C)cc(C)n2)c(Br)c1
InChIInChI=1S/C13H14BrN3/c1-8-4-5-12(11(14)6-8)17-13-15-9(2)7-10(3)16-13/h4-7H,1-3H3,(H,15,16,17)
InChIKeyVEAUGEBKCBFOFE-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.91
Rot. Bonds2

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

N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 611317) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID611317
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1ccc(Nc2nc(C)cc(C)n2)c(Br)c1
InChIInChI=1S/C13H14BrN3/c1-8-4-5-12(11(14)6-8)17-13-15-9(2)7-10(3)16-13/h4-7H,1-3H3,(H,15,16,17)
InChIKeyVEAUGEBKCBFOFE-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine (CID 611317) is N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine is Cc1ccc(Nc2nc(C)cc(C)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is VEAUGEBKCBFOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8-4-5-12(11(14)6-8)17-13-15-9(2)7-10(3)16-13/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine?
N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 611317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).