4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine

C10H10N4OS — CID 14643578

IUPAC4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2ccccc2)n1
InChIInChI=1S/C10H10N4OS/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14)
InChIKeyPEPVXWUOMSLZHB-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.61
Rot. Bonds3

About 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine

4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 14643578) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine
PubChem CID14643578
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2ccccc2)n1
InChIInChI=1S/C10H10N4OS/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14)
InChIKeyPEPVXWUOMSLZHB-UHFFFAOYSA-N
XLogP1.61
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine (CID 14643578) is 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine is COc1nc(N)nc(Sc2ccccc2)n1.
What is the InChIKey of 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is PEPVXWUOMSLZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14).
What are the key properties of 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine?
4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 234.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-phenylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 14643578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).