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

C16H14ClN5 — CID 23536510

IUPAC2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1cccc(Cl)c1)c1ncnc(Nc2ccccc2)n1
InChIInChI=1S/C16H14ClN5/c1-22(14-9-5-6-12(17)10-14)16-19-11-18-15(21-16)20-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20,21)
InChIKeyYHMQMWLJUWGTCZ-UHFFFAOYSA-N
MW311.78 g/mol
LogP4.04
Rot. Bonds4

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

2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 23536510) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID23536510
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1cccc(Cl)c1)c1ncnc(Nc2ccccc2)n1
InChIInChI=1S/C16H14ClN5/c1-22(14-9-5-6-12(17)10-14)16-19-11-18-15(21-16)20-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20,21)
InChIKeyYHMQMWLJUWGTCZ-UHFFFAOYSA-N
XLogP4.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23536028
2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536489
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
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536242
[5-[[4-(3-chloro-4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]amino]-2,3-dihydroxyphenyl]oxidanium
CID 142056927
4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536251
ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate
CID 175015136
CID 172854912
CID 172854912
1-[3-[[4-[(1-benzylindazol-5-yl)-methylamino]-1,3,5-triazin-2-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 23535613
2-N-(1-benzylindazol-5-yl)-2-N-methyl-4-N-[3-[[methyl(pyridin-4-yl)amino]methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 23536276
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 23536510) is 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is CN(c1cccc(Cl)c1)c1ncnc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YHMQMWLJUWGTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c1-22(14-9-5-6-12(17)10-14)16-19-11-18-15(21-16)20-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20,21).
What are the key properties of 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 311.78 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).