2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C15H18BrN3 — CID 66481275

IUPAC2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(Br)c(C)c2)nc1NC
InChIInChI=1S/C15H18BrN3/c1-5-12-10(3)18-14(19-15(12)17-4)11-6-7-13(16)9(2)8-11/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyZGDHJIVEXXHKCP-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 66481275) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID66481275
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(Br)c(C)c2)nc1NC
InChIInChI=1S/C15H18BrN3/c1-5-12-10(3)18-14(19-15(12)17-4)11-6-7-13(16)9(2)8-11/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyZGDHJIVEXXHKCP-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.13
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)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 66481275) is 2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(-c2ccc(Br)c(C)c2)nc1NC.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ZGDHJIVEXXHKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-5-12-10(3)18-14(19-15(12)17-4)11-6-7-13(16)9(2)8-11/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.13, 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)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66481275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).