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

C14H15Br2N3O — CID 66299985

IUPAC5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Br)cc2)nc(COC)c1Br
InChIInChI=1S/C14H15Br2N3O/c1-3-17-14-12(16)11(8-20-2)18-13(19-14)9-4-6-10(15)7-5-9/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyOWDCNWJBQXTJOJ-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.25
Rot. Bonds5

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

5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66299985) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID66299985
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Br)cc2)nc(COC)c1Br
InChIInChI=1S/C14H15Br2N3O/c1-3-17-14-12(16)11(8-20-2)18-13(19-14)9-4-6-10(15)7-5-9/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyOWDCNWJBQXTJOJ-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 66299985) is 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCNc1nc(-c2ccc(Br)cc2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is OWDCNWJBQXTJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O/c1-3-17-14-12(16)11(8-20-2)18-13(19-14)9-4-6-10(15)7-5-9/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 401.10 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66299985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).