6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H16ClN5 — CID 713222

IUPAC6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2C)n1
InChIInChI=1S/C17H16ClN5/c1-11-7-3-5-9-13(11)19-16-21-15(18)22-17(23-16)20-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeyOUERFDZIKTYURG-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.63
Rot. Bonds4

About 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 713222) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID713222
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2C)n1
InChIInChI=1S/C17H16ClN5/c1-11-7-3-5-9-13(11)19-16-21-15(18)22-17(23-16)20-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeyOUERFDZIKTYURG-UHFFFAOYSA-N
XLogP4.63
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Di-o-tolylguanidine
CID 7333
6-(chloromethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 933293
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
4-({4-[(2,4,6-Trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
CID 486449
4-[[4-Amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486407
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
Stk064997
CID 778562
Triphenylmelamine
CID 16084
4-[[4-(4-Cyanoanilino)-1,3,5-triazin-2-yl]amino]-3,5-dimethyl-benzonitrile
CID 486452
4-[[4-Chloro-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505445
4-[[4-Amino-6-(2,6-dimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505481
4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505529

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 713222) is 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OUERFDZIKTYURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-11-7-3-5-9-13(11)19-16-21-15(18)22-17(23-16)20-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 325.80 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 713222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).