N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine

C12H18N6OS — CID 80890058

IUPACN-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(SCCCOC)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6OS/c1-3-14-10-15-11(18-6-5-13-9-18)17-12(16-10)20-8-4-7-19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16,17)
InChIKeySNTYXUIKWRBBJE-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.62
Rot. Bonds8

About N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine

N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80890058) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80890058
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC NameN-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(SCCCOC)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6OS/c1-3-14-10-15-11(18-6-5-13-9-18)17-12(16-10)20-8-4-7-19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16,17)
InChIKeySNTYXUIKWRBBJE-UHFFFAOYSA-N
XLogP1.62
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890922
2-N-ethyl-6-imidazol-1-yl-4-N-(3-methoxypropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809214
4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765392
N-ethyl-4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80884384
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80921833
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80858138
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754298
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine (CID 80890058) is N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(SCCCOC)nc(-n2ccnc2)n1.
What is the InChIKey of N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is SNTYXUIKWRBBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-14-10-15-11(18-6-5-13-9-18)17-12(16-10)20-8-4-7-19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine?
N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 294.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80890058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).