4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine

C19H26N8 — CID 3092737

IUPAC4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine
SMILESC(=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1cccnc1
InChIInChI=1S/C19H26N8/c1-3-10-26(11-4-1)18-22-17(25-21-15-16-8-7-9-20-14-16)23-19(24-18)27-12-5-2-6-13-27/h7-9,14-15H,1-6,10-13H2,(H,22,23,24,25)
InChIKeyBNEUAYTXMADJOD-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.69
Rot. Bonds5

About 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine

4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine (PubChem CID 3092737) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine
PubChem CID3092737
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine
SMILESC(=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1cccnc1
InChIInChI=1S/C19H26N8/c1-3-10-26(11-4-1)18-22-17(25-21-15-16-8-7-9-20-14-16)23-19(24-18)27-12-5-2-6-13-27/h7-9,14-15H,1-6,10-13H2,(H,22,23,24,25)
InChIKeyBNEUAYTXMADJOD-UHFFFAOYSA-N
XLogP2.69
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-N-phenyl-2-N-[(E)-pyridin-3-ylmethylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 56688382
4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 5071726
N-[(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3938710
4,6-bis(azepan-1-yl)-N-[(4-methoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
CID 5186546
2-N-[(4-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3135105
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
2-[(E)-[[4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 169487947
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5340932
2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 2730075
2-N-[(3-iodophenyl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 85026567
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 6087718
4-[(Z)-[[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136744794

Frequently Asked Questions

What is the IUPAC name of 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine (CID 3092737) is 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine is C(=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1cccnc1.
What is the InChIKey of 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine?
The InChIKey is BNEUAYTXMADJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-3-10-26(11-4-1)18-22-17(25-21-15-16-8-7-9-20-14-16)23-19(24-18)27-12-5-2-6-13-27/h7-9,14-15H,1-6,10-13H2,(H,22,23,24,25).
What are the key properties of 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine?
4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine has a molecular weight of 366.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3092737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).