2-(2-bromophenyl)-N-ethylpyrimidin-4-amine

C12H12BrN3 — CID 62190265

IUPAC2-(2-bromophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3/c1-2-14-11-7-8-15-12(16-11)9-5-3-4-6-10(9)13/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyQDFARDGECXCTDX-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine

2-(2-bromophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 62190265) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethylpyrimidin-4-amine
PubChem CID62190265
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name2-(2-bromophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3/c1-2-14-11-7-8-15-12(16-11)9-5-3-4-6-10(9)13/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyQDFARDGECXCTDX-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine (CID 62190265) is 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(-c2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is QDFARDGECXCTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-2-14-11-7-8-15-12(16-11)9-5-3-4-6-10(9)13/h3-8H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine?
2-(2-bromophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 278.15 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 62190265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).