2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

C19H21N7 — CID 819949

IUPAC2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C19H21N7/c1-3-7-15(8-4-1)21-17-23-18(22-16-9-5-2-6-10-16)25-19(24-17)26-13-11-20-12-14-26/h1-10,20H,11-14H2,(H2,21,22,23,24,25)
InChIKeyKTHPCIRABJFDML-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.77
Rot. Bonds5

About 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 819949) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID819949
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C19H21N7/c1-3-7-15(8-4-1)21-17-23-18(22-16-9-5-2-6-10-16)25-19(24-17)26-13-11-20-12-14-26/h1-10,20H,11-14H2,(H2,21,22,23,24,25)
InChIKeyKTHPCIRABJFDML-UHFFFAOYSA-N
XLogP2.77
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
N2,N4,N6-tris(4-((1,4-dimethylpentyl)amino)phenyl)-1,3,5-triazine-2,4,6-triamine
CID 10985333
2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
Triphenylmelamine
CID 16084
6-Chloro-N2-isopropyl-N4-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
1,3,5-Triazine, 2-isopropylamino-4,6-di(phenylamino)-
CID 629324
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
[1,3,5]Triazine-2,4-diamine, N,N-diphenyl-6-(piperidin-1-yl)-
CID 712288
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (CID 819949) is 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1.
What is the InChIKey of 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KTHPCIRABJFDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-7-15(8-4-1)21-17-23-18(22-16-9-5-2-6-10-16)25-19(24-17)26-13-11-20-12-14-26/h1-10,20H,11-14H2,(H2,21,22,23,24,25).
What are the key properties of 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 347.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 819949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).