2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine

C15H18BrN3 — CID 55219975

IUPAC2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2Br)nc(C)c1CC
InChIInChI=1S/C15H18BrN3/c1-4-11-10(3)18-15(19-14(11)17-5-2)12-8-6-7-9-13(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyQSQKCVUHCAWEQQ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.21
Rot. Bonds4

About 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine

2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine (PubChem CID 55219975) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
PubChem CID55219975
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2Br)nc(C)c1CC
InChIInChI=1S/C15H18BrN3/c1-4-11-10(3)18-15(19-14(11)17-5-2)12-8-6-7-9-13(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyQSQKCVUHCAWEQQ-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.21
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,5-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine (CID 55219975) is 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine is CCNc1nc(-c2ccccc2Br)nc(C)c1CC.
What is the InChIKey of 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is QSQKCVUHCAWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-11-10(3)18-15(19-14(11)17-5-2)12-8-6-7-9-13(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 55219975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).