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

C13H13Br2N3O — CID 66299387

IUPAC5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Br)cc2)nc(COC)c1Br
InChIInChI=1S/C13H13Br2N3O/c1-16-13-11(15)10(7-19-2)17-12(18-13)8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyYHLNKQMFJOYPIZ-UHFFFAOYSA-N
MW387.08 g/mol
LogP3.86
Rot. Bonds4

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

5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66299387) has the molecular formula C13H13Br2N3O and a molecular weight of 387.08 g/mol. Its IUPAC name is 5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66299387
Molecular FormulaC13H13Br2N3O
Molecular Weight387.08 g/mol
Exact Mass384.94
IUPAC Name5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Br)cc2)nc(COC)c1Br
InChIInChI=1S/C13H13Br2N3O/c1-16-13-11(15)10(7-19-2)17-12(18-13)8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyYHLNKQMFJOYPIZ-UHFFFAOYSA-N
XLogP3.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66296421
5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297577
5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 115568320
5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81147117
5-iodo-6-(methoxymethyl)-N-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66296431
5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114557431
5-bromo-2-(4-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66306418
5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 79780264
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404
5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
CID 106849561
5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79980128

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66299387) is 5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ccc(Br)cc2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is YHLNKQMFJOYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O/c1-16-13-11(15)10(7-19-2)17-12(18-13)8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 387.08 g/mol, XLogP of 3.86, 4 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)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66299387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).