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

C16H20ClN5 — CID 704774

IUPAC6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C16H20ClN5/c1-11-7-9-13(10-8-11)19-16-21-14(17)20-15(22-16)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,18,19,20,21,22)
InChIKeyGULQDIGCAOVCEH-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.32
Rot. Bonds4

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

6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 704774) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID704774
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C16H20ClN5/c1-11-7-9-13(10-8-11)19-16-21-14(17)20-15(22-16)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,18,19,20,21,22)
InChIKeyGULQDIGCAOVCEH-UHFFFAOYSA-N
XLogP4.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
Stk064997
CID 778562
N2,N4,N6-tris(4-((1,4-dimethylpentyl)amino)phenyl)-1,3,5-triazine-2,4,6-triamine
CID 10985333
4-[[4-Amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486407
6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
4,6-Dichloro-N-(4-(1-methylethyl)phenyl)-1,3,5-triazin-2-amine
CID 3121122
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 704774) is 6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GULQDIGCAOVCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-11-7-9-13(10-8-11)19-16-21-14(17)20-15(22-16)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.82 g/mol, XLogP of 4.32, 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-cyclohexyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 704774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).