4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine

C11H14N6OS — CID 106497760

IUPAC4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
SMILESNc1nc(SCC2CCCO2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14N6OS/c12-9-14-10(17-4-3-13-7-17)16-11(15-9)19-6-8-2-1-5-18-8/h3-4,7-8H,1-2,5-6H2,(H2,12,14,15,16)
InChIKeyHIKRKHMUXGAKSK-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.91
Rot. Bonds4

About 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 106497760) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID106497760
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
SMILESNc1nc(SCC2CCCO2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14N6OS/c12-9-14-10(17-4-3-13-7-17)16-11(15-9)19-6-8-2-1-5-18-8/h3-4,7-8H,1-2,5-6H2,(H2,12,14,15,16)
InChIKeyHIKRKHMUXGAKSK-UHFFFAOYSA-N
XLogP0.91
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106497876
4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80787157
4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80886477
4-butan-2-ylsulfanyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80887918
6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80817419
3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341
4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
CID 80873031
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43220337
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
CID 3671758
6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80791148
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine (CID 106497760) is 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine is Nc1nc(SCC2CCCO2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is HIKRKHMUXGAKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c12-9-14-10(17-4-3-13-7-17)16-11(15-9)19-6-8-2-1-5-18-8/h3-4,7-8H,1-2,5-6H2,(H2,12,14,15,16).
What are the key properties of 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106497760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).