2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C17H16ClN5O — CID 23536489

IUPAC2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(Nc2ncnc(N(C)c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H16ClN5O/c1-23(14-7-3-5-12(18)9-14)17-20-11-19-16(22-17)21-13-6-4-8-15(10-13)24-2/h3-11H,1-2H3,(H,19,20,21,22)
InChIKeySEKHMIPOTIOHBK-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.05
Rot. Bonds5

About 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 23536489) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID23536489
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(Nc2ncnc(N(C)c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H16ClN5O/c1-23(14-7-3-5-12(18)9-14)17-20-11-19-16(22-17)21-13-6-4-8-15(10-13)24-2/h3-11H,1-2H3,(H,19,20,21,22)
InChIKeySEKHMIPOTIOHBK-UHFFFAOYSA-N
XLogP4.05
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-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

2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23536510
4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23536028
N-[3-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]but-2-ynamide
CID 91449820
bis(4-chloro-N-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine);2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine;2,4-dichloro-1,3,5-triazine;3,4-dimethoxyaniline
CID 158113183
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80817157
4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 62858681
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536242
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535781
2-N-(3-methoxyphenyl)-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 80796248

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 23536489) is 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is COc1cccc(Nc2ncnc(N(C)c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SEKHMIPOTIOHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-23(14-7-3-5-12(18)9-14)17-20-11-19-16(22-17)21-13-6-4-8-15(10-13)24-2/h3-11H,1-2H3,(H,19,20,21,22).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 341.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).