6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

C33H28BrN9O2 — CID 71493670

IUPAC6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(-c4cc(-c5cccc(Br)c5)nc(N)n4)cc3)n2)cc1
InChIInChI=1S/C33H28BrN9O2/c1-44-26-14-10-24(11-15-26)37-32-41-31(42-33(43-32)38-25-12-16-27(45-2)17-13-25)36-23-8-6-20(7-9-23)28-19-29(40-30(35)39-28)21-4-3-5-22(34)18-21/h3-19H,1-2H3,(H2,35,39,40)(H3,36,37,38,41,42,43)
InChIKeyZZKWWPVDIZHWJX-UHFFFAOYSA-N
MW662.55 g/mol
LogP7.59
Rot. Bonds10

About 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 71493670) has the molecular formula C33H28BrN9O2 and a molecular weight of 662.55 g/mol. Its IUPAC name is 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID71493670
Molecular FormulaC33H28BrN9O2
Molecular Weight662.55 g/mol
Exact Mass661.15
IUPAC Name6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(-c4cc(-c5cccc(Br)c5)nc(N)n4)cc3)n2)cc1
InChIInChI=1S/C33H28BrN9O2/c1-44-26-14-10-24(11-15-26)37-32-41-31(42-33(43-32)38-25-12-16-27(45-2)17-13-25)36-23-8-6-20(7-9-23)28-19-29(40-30(35)39-28)21-4-3-5-22(34)18-21/h3-19H,1-2H3,(H2,35,39,40)(H3,36,37,38,41,42,43)
InChIKeyZZKWWPVDIZHWJX-UHFFFAOYSA-N
XLogP7.59
TPSA145.02 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500662.55
LogP ≤ 57.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine 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-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine
CID 22643261
4-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75360175
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
CID 156613211
2-N-[4-(2-amino-6-thiophen-2-ylpyrimidin-4-yl)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 45113252
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801
2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine
CID 59342158
4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359889
4-(2-fluorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359921

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (CID 71493670) is 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(-c4cc(-c5cccc(Br)c5)nc(N)n4)cc3)n2)cc1.
What is the InChIKey of 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZZKWWPVDIZHWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28BrN9O2/c1-44-26-14-10-24(11-15-26)37-32-41-31(42-33(43-32)38-25-12-16-27(45-2)17-13-25)36-23-8-6-20(7-9-23)28-19-29(40-30(35)39-28)21-4-3-5-22(34)18-21/h3-19H,1-2H3,(H2,35,39,40)(H3,36,37,38,41,42,43).
What are the key properties of 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 662.55 g/mol, XLogP of 7.59, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 71493670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).