5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C15H18BrN3O — CID 66297577

IUPAC5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)c(C)c2)nc(COC)c1Br
InChIInChI=1S/C15H18BrN3O/c1-9-5-6-11(7-10(9)2)14-18-12(8-20-4)13(16)15(17-3)19-14/h5-7H,8H2,1-4H3,(H,17,18,19)
InChIKeyQYELZNVOLJLKGR-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.71
Rot. Bonds4

About 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66297577) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66297577
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)c(C)c2)nc(COC)c1Br
InChIInChI=1S/C15H18BrN3O/c1-9-5-6-11(7-10(9)2)14-18-12(8-20-4)13(16)15(17-3)19-14/h5-7H,8H2,1-4H3,(H,17,18,19)
InChIKeyQYELZNVOLJLKGR-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66297577) is 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ccc(C)c(C)c2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is QYELZNVOLJLKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9-5-6-11(7-10(9)2)14-18-12(8-20-4)13(16)15(17-3)19-14/h5-7H,8H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66297577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).