4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane

C29H42ClN5O3 — CID 143126772

IUPAC4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane
SMILESCC.CC.COc1ccc(-c2nc(Nc3ccc(OC)c(Cl)c3)nc(NC3CCCCCC3)n2)c(OC)c1
InChIInChI=1S/C25H30ClN5O3.2C2H6/c1-32-18-11-12-19(22(15-18)34-3)23-29-24(27-16-8-6-4-5-7-9-16)31-25(30-23)28-17-10-13-21(33-2)20(26)14-17;2*1-2/h10-16H,4-9H2,1-3H3,(H2,27,28,29,30,31);2*1-2H3
InChIKeyUXMUTGUTKVGLON-UHFFFAOYSA-N
MW544.14 g/mol
LogP8.15
Rot. Bonds8

About 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane

4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane (PubChem CID 143126772) has the molecular formula C29H42ClN5O3 and a molecular weight of 544.14 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane
PubChem CID143126772
Molecular FormulaC29H42ClN5O3
Molecular Weight544.14 g/mol
Exact Mass543.30
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane
SMILESCC.CC.COc1ccc(-c2nc(Nc3ccc(OC)c(Cl)c3)nc(NC3CCCCCC3)n2)c(OC)c1
InChIInChI=1S/C25H30ClN5O3.2C2H6/c1-32-18-11-12-19(22(15-18)34-3)23-29-24(27-16-8-6-4-5-7-9-16)31-25(30-23)28-17-10-13-21(33-2)20(26)14-17;2*1-2/h10-16H,4-9H2,1-3H3,(H2,27,28,29,30,31);2*1-2H3
InChIKeyUXMUTGUTKVGLON-UHFFFAOYSA-N
XLogP8.15
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.14
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane 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

6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;ethane
CID 142875975
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 157445114
CID 87926427
CID 87926427
4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 10096488
2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 10322649
4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-N-(piperidin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 11397006
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
tert-butyl N-[2-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]ethyl]carbamate
CID 11627558
6-(azepan-1-yl)-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 10296205
4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(2-ethylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine
CID 91309250
6-N-(2-aminoethyl)-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;tert-butyl N-[2-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]ethyl]carbamate
CID 158863825
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane (CID 143126772) is 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane is CC.CC.COc1ccc(-c2nc(Nc3ccc(OC)c(Cl)c3)nc(NC3CCCCCC3)n2)c(OC)c1.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane?
The InChIKey is UXMUTGUTKVGLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3.2C2H6/c1-32-18-11-12-19(22(15-18)34-3)23-29-24(27-16-8-6-4-5-7-9-16)31-25(30-23)28-17-10-13-21(33-2)20(26)14-17;2*1-2/h10-16H,4-9H2,1-3H3,(H2,27,28,29,30,31);2*1-2H3.
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane?
4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane has a molecular weight of 544.14 g/mol, XLogP of 8.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane is sourced from PubChem (CID 143126772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).