6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine

C14H14Br3N3O — CID 103416320

IUPAC6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(Nc2cc(Br)nc(C(C)C)n2)c(Br)cc1Br
InChIInChI=1S/C14H14Br3N3O/c1-7(2)14-19-12(17)6-13(20-14)18-10-5-11(21-3)9(16)4-8(10)15/h4-7H,1-3H3,(H,18,19,20)
InChIKeyRXAOUHSSGIFRJV-UHFFFAOYSA-N
MW480.00 g/mol
LogP5.64
Rot. Bonds4

About 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine

6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 103416320) has the molecular formula C14H14Br3N3O and a molecular weight of 480.00 g/mol. Its IUPAC name is 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID103416320
Molecular FormulaC14H14Br3N3O
Molecular Weight480.00 g/mol
Exact Mass476.87
IUPAC Name6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(Nc2cc(Br)nc(C(C)C)n2)c(Br)cc1Br
InChIInChI=1S/C14H14Br3N3O/c1-7(2)14-19-12(17)6-13(20-14)18-10-5-11(21-3)9(16)4-8(10)15/h4-7H,1-3H3,(H,18,19,20)
InChIKeyRXAOUHSSGIFRJV-UHFFFAOYSA-N
XLogP5.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.00
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 103417170
6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107614831
2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
CID 103417153
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103417125
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
CID 107372598
4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955939
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300
4-N-(2,4-dibromophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960399
2,4-dibromo-5-methoxy-N-pentan-3-ylaniline
CID 103411897

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine (CID 103416320) is 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine is COc1cc(Nc2cc(Br)nc(C(C)C)n2)c(Br)cc1Br.
What is the InChIKey of 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RXAOUHSSGIFRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br3N3O/c1-7(2)14-19-12(17)6-13(20-14)18-10-5-11(21-3)9(16)4-8(10)15/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 480.00 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103416320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).