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

C13H13Br2N3 — CID 66298851

IUPAC5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc(Br)c2)nc(NC)c1Br
InChIInChI=1S/C13H13Br2N3/c1-3-10-11(15)13(16-2)18-12(17-10)8-5-4-6-9(14)7-8/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyXYAIMPIZAFHOMS-UHFFFAOYSA-N
MW371.08 g/mol
LogP4.27
Rot. Bonds3

About 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine

5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 66298851) has the molecular formula C13H13Br2N3 and a molecular weight of 371.08 g/mol. Its IUPAC name is 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID66298851
Molecular FormulaC13H13Br2N3
Molecular Weight371.08 g/mol
Exact Mass368.95
IUPAC Name5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc(Br)c2)nc(NC)c1Br
InChIInChI=1S/C13H13Br2N3/c1-3-10-11(15)13(16-2)18-12(17-10)8-5-4-6-9(14)7-8/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyXYAIMPIZAFHOMS-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.08
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine (CID 66298851) is 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(-c2cccc(Br)c2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is XYAIMPIZAFHOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3/c1-3-10-11(15)13(16-2)18-12(17-10)8-5-4-6-9(14)7-8/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 371.08 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66298851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).