4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C14H17N5OS — CID 80872274

IUPAC4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SCc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H17N5OS/c15-12-16-13(19-6-8-20-9-7-19)18-14(17-12)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,17,18)
InChIKeyJMTPNCZWWGKWDS-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.58
Rot. Bonds4

About 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80872274) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80872274
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SCc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H17N5OS/c15-12-16-13(19-6-8-20-9-7-19)18-14(17-12)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,17,18)
InChIKeyJMTPNCZWWGKWDS-UHFFFAOYSA-N
XLogP1.58
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80872274) is 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(SCc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is JMTPNCZWWGKWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-12-16-13(19-6-8-20-9-7-19)18-14(17-12)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,17,18).
What are the key properties of 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 303.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).