2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

C24H31N7O4 — CID 2920642

IUPAC2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3OC)nc(N3CCN(C)CC3)n2)c(OC)c1
InChIInChI=1S/C24H31N7O4/c1-30-10-12-31(13-11-30)24-28-22(25-18-8-6-16(32-2)14-20(18)34-4)27-23(29-24)26-19-9-7-17(33-3)15-21(19)35-5/h6-9,14-15H,10-13H2,1-5H3,(H2,25,26,27,28,29)
InChIKeySDGYUCWQEJQFMK-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.14
Rot. Bonds9

About 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 2920642) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID2920642
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Name2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3OC)nc(N3CCN(C)CC3)n2)c(OC)c1
InChIInChI=1S/C24H31N7O4/c1-30-10-12-31(13-11-30)24-28-22(25-18-8-6-16(32-2)14-20(18)34-4)27-23(29-24)26-19-9-7-17(33-3)15-21(19)35-5/h6-9,14-15H,10-13H2,1-5H3,(H2,25,26,27,28,29)
InChIKeySDGYUCWQEJQFMK-UHFFFAOYSA-N
XLogP3.14
TPSA106.13 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine 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

N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 942531
6-chloro-N,N'-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
N-(4-Methoxy-phenyl)-6-morpholin-4-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 651619
4-chloro-N-(4-fluorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1202188
N-(tert-butyl)-N'-(2,4-dimethoxyphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1096074
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 16721099
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(4-methoxy-phenyl)-amine
CID 1158979
4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1158975
2-({4-[(2,4-Dimethoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648031
N-(4-amino-6-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)amine
CID 665928
N-(4-amino-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)amine
CID 666151
6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine
CID 666183

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (CID 2920642) is 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc(OC)cc3OC)nc(N3CCN(C)CC3)n2)c(OC)c1.
What is the InChIKey of 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SDGYUCWQEJQFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-30-10-12-31(13-11-30)24-28-22(25-18-8-6-16(32-2)14-20(18)34-4)27-23(29-24)26-19-9-7-17(33-3)15-21(19)35-5/h6-9,14-15H,10-13H2,1-5H3,(H2,25,26,27,28,29).
What are the key properties of 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 481.56 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2,4-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2920642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).