2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine

C16H23N7 — CID 91527858

IUPAC2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCN(c2ccc(Nc3nc(C)nc(N)n3)cc2)CC1
InChIInChI=1S/C16H23N7/c1-3-22-8-10-23(11-9-22)14-6-4-13(5-7-14)20-16-19-12(2)18-15(17)21-16/h4-7H,3,8-11H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyPRKCNRGKHYYFDE-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.65
Rot. Bonds4

About 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine

2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 91527858) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID91527858
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCN(c2ccc(Nc3nc(C)nc(N)n3)cc2)CC1
InChIInChI=1S/C16H23N7/c1-3-22-8-10-23(11-9-22)14-6-4-13(5-7-14)20-16-19-12(2)18-15(17)21-16/h4-7H,3,8-11H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyPRKCNRGKHYYFDE-UHFFFAOYSA-N
XLogP1.65
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 66669998
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112870948
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 112870952
2-N-(3,4-dimethylphenyl)-6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 122473367
5-bromo-2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 142899054
2-N-(4-fluorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 3163543
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 153407157
4-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112914293
(2R)-1-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
CID 69022655

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 91527858) is 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine is CCN1CCN(c2ccc(Nc3nc(C)nc(N)n3)cc2)CC1.
What is the InChIKey of 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PRKCNRGKHYYFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-3-22-8-10-23(11-9-22)14-6-4-13(5-7-14)20-16-19-12(2)18-15(17)21-16/h4-7H,3,8-11H2,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91527858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).