6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine

C13H14BrN3 — CID 115504032

IUPAC6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C13H14BrN3/c1-3-15-13-8-12(16-9(2)17-13)10-5-4-6-11(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyXKNUSYSCXOABMS-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.65
Rot. Bonds3

About 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine

6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 115504032) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID115504032
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C13H14BrN3/c1-3-15-13-8-12(16-9(2)17-13)10-5-4-6-11(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyXKNUSYSCXOABMS-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromophenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716853
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
5-(3-bromophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63047953
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
2-(3-bromophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63560398
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine (CID 115504032) is 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine is CCNc1cc(-c2cccc(Br)c2)nc(C)n1.
What is the InChIKey of 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is XKNUSYSCXOABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-3-15-13-8-12(16-9(2)17-13)10-5-4-6-11(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine?
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 292.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 115504032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).