4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine

C12H14BrN5O — CID 82862436

IUPAC4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(Br)c(OC)c2)nc(N)n1
InChIInChI=1S/C12H14BrN5O/c1-15-10-6-11(18-12(14)17-10)16-7-3-4-8(13)9(5-7)19-2/h3-6H,1-2H3,(H4,14,15,16,17,18)
InChIKeyZIJUGPQLMPZDLS-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.62
Rot. Bonds4

About 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine

4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 82862436) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID82862436
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(Br)c(OC)c2)nc(N)n1
InChIInChI=1S/C12H14BrN5O/c1-15-10-6-11(18-12(14)17-10)16-7-3-4-8(13)9(5-7)19-2/h3-6H,1-2H3,(H4,14,15,16,17,18)
InChIKeyZIJUGPQLMPZDLS-UHFFFAOYSA-N
XLogP2.62
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 82861835
4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
CID 82857790
4-N-(4-chloro-3-methoxyphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 107623619
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 82861467
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine (CID 82862436) is 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(Nc2ccc(Br)c(OC)c2)nc(N)n1.
What is the InChIKey of 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is ZIJUGPQLMPZDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-15-10-6-11(18-12(14)17-10)16-7-3-4-8(13)9(5-7)19-2/h3-6H,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine?
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 324.18 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 82862436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).