2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine

C13H13BrClN3 — CID 113337298

IUPAC2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)c(Br)c2)nc(C)c1C
InChIInChI=1S/C13H13BrClN3/c1-7-8(2)17-13(18-12(7)16-3)9-4-5-11(15)10(14)6-9/h4-6H,1-3H3,(H,16,17,18)
InChIKeyVLJXQJJHIUFHDK-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.22
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine

2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 113337298) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID113337298
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)c(Br)c2)nc(C)c1C
InChIInChI=1S/C13H13BrClN3/c1-7-8(2)17-13(18-12(7)16-3)9-4-5-11(15)10(14)6-9/h4-6H,1-3H3,(H,16,17,18)
InChIKeyVLJXQJJHIUFHDK-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 115568320
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
N,5,6-trimethyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823338
2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 55191562
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 62203655
[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 106818477
4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 135962121
5-bromo-6-tert-butyl-2-(4-chloro-3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66297317
2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66481275

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine (CID 113337298) is 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(-c2ccc(Cl)c(Br)c2)nc(C)c1C.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is VLJXQJJHIUFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-7-8(2)17-13(18-12(7)16-3)9-4-5-11(15)10(14)6-9/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine?
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 326.63 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 113337298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).