4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine

C20H22N8 — CID 5071726

IUPAC4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
SMILESC(=NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccncc1
InChIInChI=1S/C20H22N8/c1-3-7-17(8-4-1)23-18-24-19(27-22-15-16-9-11-21-12-10-16)26-20(25-18)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,23,24,25,26,27)
InChIKeyOMYLXIJAQBARMC-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.45
Rot. Bonds6

About 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine

4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine (PubChem CID 5071726) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
PubChem CID5071726
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
SMILESC(=NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccncc1
InChIInChI=1S/C20H22N8/c1-3-7-17(8-4-1)23-18-24-19(27-22-15-16-9-11-21-12-10-16)26-20(25-18)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,23,24,25,26,27)
InChIKeyOMYLXIJAQBARMC-UHFFFAOYSA-N
XLogP3.45
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[(4-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3135105
4-N-phenyl-2-N-[(E)-pyridin-3-ylmethylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 56688382
2-N-[(3-iodophenyl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 85026567
[4-[(E)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 5340992
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162
4-N-phenyl-6-piperidin-1-yl-2-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 5187463
4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3092737
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
2-[3-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6024761
4-N-(4-nitrophenyl)-2-N-[(E)-(4-nitrophenyl)methylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 6321666
(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5441897
4-N-(4-fluorophenyl)-2-N-[(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 2852361

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine (CID 5071726) is 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine is C(=NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccncc1.
What is the InChIKey of 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine?
The InChIKey is OMYLXIJAQBARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-3-7-17(8-4-1)23-18-24-19(27-22-15-16-9-11-21-12-10-16)26-20(25-18)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,23,24,25,26,27).
What are the key properties of 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine?
4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine has a molecular weight of 374.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5071726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).