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

C14H16BrN3 — CID 66481080

IUPAC2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2ccc(Br)c(C)c2)n1
InChIInChI=1S/C14H16BrN3/c1-4-16-13-8-10(3)17-14(18-13)11-5-6-12(15)9(2)7-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyGZGJLKMBIZRYSX-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.95
Rot. Bonds3

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

2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 66481080) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID66481080
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2ccc(Br)c(C)c2)n1
InChIInChI=1S/C14H16BrN3/c1-4-16-13-8-10(3)17-14(18-13)11-5-6-12(15)9(2)7-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyGZGJLKMBIZRYSX-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine (CID 66481080) is 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(-c2ccc(Br)c(C)c2)n1.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is GZGJLKMBIZRYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-4-16-13-8-10(3)17-14(18-13)11-5-6-12(15)9(2)7-11/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66481080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).