N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine

C18H20N6OS2 — CID 146082601

IUPACN-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCOCCCNc1nc(Sc2ccccn2)nc(Sc2ccccn2)n1
InChIInChI=1S/C18H20N6OS2/c1-2-25-13-7-12-21-16-22-17(26-14-8-3-5-10-19-14)24-18(23-16)27-15-9-4-6-11-20-15/h3-6,8-11H,2,7,12-13H2,1H3,(H,21,22,23,24)
InChIKeyWGOZXCFWQOYTNR-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.80
Rot. Bonds10

About N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine

N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 146082601) has the molecular formula C18H20N6OS2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID146082601
Molecular FormulaC18H20N6OS2
Molecular Weight400.53 g/mol
Exact Mass400.11
IUPAC NameN-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCOCCCNc1nc(Sc2ccccn2)nc(Sc2ccccn2)n1
InChIInChI=1S/C18H20N6OS2/c1-2-25-13-7-12-21-16-22-17(26-14-8-3-5-10-19-14)24-18(23-16)27-15-9-4-6-11-20-15/h3-6,8-11H,2,7,12-13H2,1H3,(H,21,22,23,24)
InChIKeyWGOZXCFWQOYTNR-UHFFFAOYSA-N
XLogP3.80
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 146082613
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
2-N,2-N-diethyl-4-N-methyl-6-pyridin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80882962
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882665
N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
CID 80944662
N-(12-ethoxydodecyl)aniline
CID 54545171
2-N-butyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 46786245
3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102961
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
CID 80883177
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 146082601) is N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine is CCOCCCNc1nc(Sc2ccccn2)nc(Sc2ccccn2)n1.
What is the InChIKey of N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is WGOZXCFWQOYTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS2/c1-2-25-13-7-12-21-16-22-17(26-14-8-3-5-10-19-14)24-18(23-16)27-15-9-4-6-11-20-15/h3-6,8-11H,2,7,12-13H2,1H3,(H,21,22,23,24).
What are the key properties of N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine?
N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 400.53 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 146082601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).