4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C8H10N6OS — CID 107784913

IUPAC4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Sc2ncc[nH]2)n1
InChIInChI=1S/C8H10N6OS/c1-9-5-12-6(15-2)14-8(13-5)16-7-10-3-4-11-7/h3-4H,1-2H3,(H,10,11)(H,9,12,13,14)
InChIKeyTXKAIEDHIUKEDX-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.80
Rot. Bonds4

About 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 107784913) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID107784913
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Sc2ncc[nH]2)n1
InChIInChI=1S/C8H10N6OS/c1-9-5-12-6(15-2)14-8(13-5)16-7-10-3-4-11-7/h3-4H,1-2H3,(H,10,11)(H,9,12,13,14)
InChIKeyTXKAIEDHIUKEDX-UHFFFAOYSA-N
XLogP0.80
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 107784913) is 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(Sc2ncc[nH]2)n1.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is TXKAIEDHIUKEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-9-5-12-6(15-2)14-8(13-5)16-7-10-3-4-11-7/h3-4H,1-2H3,(H,10,11)(H,9,12,13,14).
What are the key properties of 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 238.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107784913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).