2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

C15H18BrN3O2 — CID 62320244

IUPAC2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(-c2cc(Br)ccc2OC)n1
InChIInChI=1S/C15H18BrN3O2/c1-4-17-14-8-11(9-20-2)18-15(19-14)12-7-10(16)5-6-13(12)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYNHVLZZTWWDSLC-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.49
Rot. Bonds6

About 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 62320244) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID62320244
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(-c2cc(Br)ccc2OC)n1
InChIInChI=1S/C15H18BrN3O2/c1-4-17-14-8-11(9-20-2)18-15(19-14)12-7-10(16)5-6-13(12)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYNHVLZZTWWDSLC-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 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 62320244) is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(COC)nc(-c2cc(Br)ccc2OC)n1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is YNHVLZZTWWDSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-4-17-14-8-11(9-20-2)18-15(19-14)12-7-10(16)5-6-13(12)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-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 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 62320244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).