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

C8H13N5OS — CID 2726604

IUPAC4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C8H13N5OS/c1-15-8-11-6(9)10-7(12-8)13-2-4-14-5-3-13/h2-5H2,1H3,(H2,9,10,11,12)
InChIKeyCMDNAVZVMWGGBE-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.01
Rot. Bonds2

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

4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 2726604) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID2726604
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C8H13N5OS/c1-15-8-11-6(9)10-7(12-8)13-2-4-14-5-3-13/h2-5H2,1H3,(H2,9,10,11,12)
InChIKeyCMDNAVZVMWGGBE-UHFFFAOYSA-N
XLogP0.01
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 2726604) is 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CSc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is CMDNAVZVMWGGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-15-8-11-6(9)10-7(12-8)13-2-4-14-5-3-13/h2-5H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 227.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2726604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).