4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine

C13H17ClN6 — CID 80760537

IUPAC4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H17ClN6/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyLUVAUTKIAZLIBT-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.70
Rot. Bonds5

About 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine

4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80760537) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80760537
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H17ClN6/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyLUVAUTKIAZLIBT-UHFFFAOYSA-N
XLogP2.70
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80838202
4-N-(4-chloro-2-iodophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 107639126
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
4-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80738160
2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80751307
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 153324586
4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80748472
2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 141423014
4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide
CID 127030100
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 80760537) is 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LUVAUTKIAZLIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 292.77 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80760537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).