N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine

C13H14BrN3 — CID 55112715

IUPACN-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC(C)c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3/c1-9(11-3-5-12(14)6-4-11)16-13-7-8-15-10(2)17-13/h3-9H,1-2H3,(H,15,16,17)
InChIKeyWMAUGVBOQGXIGQ-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.72
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine

N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 55112715) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID55112715
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC(C)c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3/c1-9(11-3-5-12(14)6-4-11)16-13-7-8-15-10(2)17-13/h3-9H,1-2H3,(H,15,16,17)
InChIKeyWMAUGVBOQGXIGQ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine (CID 55112715) is N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine is Cc1nccc(NC(C)c2ccc(Br)cc2)n1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is WMAUGVBOQGXIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9(11-3-5-12(14)6-4-11)16-13-7-8-15-10(2)17-13/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine?
N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 292.18 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 55112715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).