4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine

C17H23N7S — CID 6264891

IUPAC4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine
SMILESC/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1cccs1
InChIInChI=1S/C17H23N7S/c1-13(14-7-6-12-25-14)21-22-15-18-16(23-8-2-3-9-23)20-17(19-15)24-10-4-5-11-24/h6-7,12H,2-5,8-11H2,1H3,(H,18,19,20,22)/b21-13+
InChIKeyRLHQMIXIECDQET-FYJGNVAPSA-N
MW357.49 g/mol
LogP2.97
Rot. Bonds5

About 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine

4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine (PubChem CID 6264891) has the molecular formula C17H23N7S and a molecular weight of 357.49 g/mol. Its IUPAC name is 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine
PubChem CID6264891
Molecular FormulaC17H23N7S
Molecular Weight357.49 g/mol
Exact Mass357.17
IUPAC Name4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine
SMILESC/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1cccs1
InChIInChI=1S/C17H23N7S/c1-13(14-7-6-12-25-14)21-22-15-18-16(23-8-2-3-9-23)20-17(19-15)24-10-4-5-11-24/h6-7,12H,2-5,8-11H2,1H3,(H,18,19,20,22)/b21-13+
InChIKeyRLHQMIXIECDQET-FYJGNVAPSA-N
XLogP2.97
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.97
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'}

Analyze 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-[N-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 3787858
N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3092763
N-[4-[(E)-N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6160374
4-[N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 4082314
4-[(E)-N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135636683
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 5180598
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342
3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 86752186
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63292587

Frequently Asked Questions

What is the IUPAC name of 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine (CID 6264891) is 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine is C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1cccs1.
What is the InChIKey of 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine?
The InChIKey is RLHQMIXIECDQET-FYJGNVAPSA-N. The full InChI is InChI=1S/C17H23N7S/c1-13(14-7-6-12-25-14)21-22-15-18-16(23-8-2-3-9-23)20-17(19-15)24-10-4-5-11-24/h6-7,12H,2-5,8-11H2,1H3,(H,18,19,20,22)/b21-13+.
What are the key properties of 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine?
4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine has a molecular weight of 357.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine is sourced from PubChem (CID 6264891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).