4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine

C12H12Br2N4O — CID 103417160

IUPAC4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(OC)c(Br)cc2Br)n1
InChIInChI=1S/C12H12Br2N4O/c1-15-12-16-4-3-11(18-12)17-9-6-10(19-2)8(14)5-7(9)13/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyVASBABZUVBNACK-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.80
Rot. Bonds4

About 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 103417160) has the molecular formula C12H12Br2N4O and a molecular weight of 388.06 g/mol. Its IUPAC name is 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID103417160
Molecular FormulaC12H12Br2N4O
Molecular Weight388.06 g/mol
Exact Mass385.94
IUPAC Name4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(OC)c(Br)cc2Br)n1
InChIInChI=1S/C12H12Br2N4O/c1-15-12-16-4-3-11(18-12)17-9-6-10(19-2)8(14)5-7(9)13/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyVASBABZUVBNACK-UHFFFAOYSA-N
XLogP3.80
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
CID 103417153
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
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-(5-bromo-2-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824850
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 82861467
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107580704
4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 103417170
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine (CID 103417160) is 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2cc(OC)c(Br)cc2Br)n1.
What is the InChIKey of 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VASBABZUVBNACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4O/c1-15-12-16-4-3-11(18-12)17-9-6-10(19-2)8(14)5-7(9)13/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 388.06 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 103417160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).