4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine

C17H18N6 — CID 174750839

IUPAC4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCc2ccncc2)nc(CCc2ccncc2)n1
InChIInChI=1S/C17H18N6/c18-17-22-15(3-1-13-5-9-19-10-6-13)21-16(23-17)4-2-14-7-11-20-12-8-14/h5-12H,1-4H2,(H2,18,21,22,23)
InChIKeyGMLBLOKVCCJJFD-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.81
Rot. Bonds6

About 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine

4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 174750839) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine
PubChem CID174750839
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCc2ccncc2)nc(CCc2ccncc2)n1
InChIInChI=1S/C17H18N6/c18-17-22-15(3-1-13-5-9-19-10-6-13)21-16(23-17)4-2-14-7-11-20-12-8-14/h5-12H,1-4H2,(H2,18,21,22,23)
InChIKeyGMLBLOKVCCJJFD-UHFFFAOYSA-N
XLogP1.81
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine
CID 58825419
4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine
CID 83241885
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-methyl-2-(2-pyridin-4-ylethyl)quinazoline
CID 59888251
2-pyridin-4-ylethylarsane
CID 173253111
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 139144277
4-(2-pyridin-4-ylethylsulfinyl)aniline
CID 61368681
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine
CID 80845389

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine (CID 174750839) is 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine is Nc1nc(CCc2ccncc2)nc(CCc2ccncc2)n1.
What is the InChIKey of 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is GMLBLOKVCCJJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c18-17-22-15(3-1-13-5-9-19-10-6-13)21-16(23-17)4-2-14-7-11-20-12-8-14/h5-12H,1-4H2,(H2,18,21,22,23).
What are the key properties of 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine?
4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 174750839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).