4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine

C12H13BrN4O3 — CID 103524033

IUPAC4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2ccc(OC)c(Br)c2OC)n1
InChIInChI=1S/C12H13BrN4O3/c1-18-7-5-4-6(9(19-2)8(7)13)10-15-11(14)17-12(16-10)20-3/h4-5H,1-3H3,(H2,14,15,16,17)
InChIKeyLXGBTAFFCWHGNS-UHFFFAOYSA-N
MW341.17 g/mol
LogP1.91
Rot. Bonds4

About 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine

4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 103524033) has the molecular formula C12H13BrN4O3 and a molecular weight of 341.17 g/mol. Its IUPAC name is 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID103524033
Molecular FormulaC12H13BrN4O3
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC Name4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2ccc(OC)c(Br)c2OC)n1
InChIInChI=1S/C12H13BrN4O3/c1-18-7-5-4-6(9(19-2)8(7)13)10-15-11(14)17-12(16-10)20-3/h4-5H,1-3H3,(H2,14,15,16,17)
InChIKeyLXGBTAFFCWHGNS-UHFFFAOYSA-N
XLogP1.91
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072
4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 115503747
5-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyridin-2-amine
CID 103523655
6-(3-bromo-2,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
CID 103524051
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline
CID 107626993
4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride
CID 175949920
4-methoxy-6-quinolin-8-yl-1,3,5-triazin-2-amine
CID 81221199
[3-(3-bromo-2,4-dimethoxyphenyl)-4-methylphenyl]methanamine
CID 103523742
2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62202129
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
CID 103523744

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine (CID 103524033) is 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(-c2ccc(OC)c(Br)c2OC)n1.
What is the InChIKey of 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is LXGBTAFFCWHGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3/c1-18-7-5-4-6(9(19-2)8(7)13)10-15-11(14)17-12(16-10)20-3/h4-5H,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine?
4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 341.17 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 103524033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).