5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C15H18BrN3O2 — CID 66296421

IUPAC5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOc1ccc(-c2nc(COC)c(Br)c(NC)n2)cc1
InChIInChI=1S/C15H18BrN3O2/c1-4-21-11-7-5-10(6-8-11)14-18-12(9-20-3)13(16)15(17-2)19-14/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYLOSDNSBYQMJKI-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.49
Rot. Bonds6

About 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66296421) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66296421
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOc1ccc(-c2nc(COC)c(Br)c(NC)n2)cc1
InChIInChI=1S/C15H18BrN3O2/c1-4-21-11-7-5-10(6-8-11)14-18-12(9-20-3)13(16)15(17-2)19-14/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYLOSDNSBYQMJKI-UHFFFAOYSA-N
XLogP3.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66296421) is 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CCOc1ccc(-c2nc(COC)c(Br)c(NC)n2)cc1.
What is the InChIKey of 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is YLOSDNSBYQMJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-4-21-11-7-5-10(6-8-11)14-18-12(9-20-3)13(16)15(17-2)19-14/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66296421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).