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

C11H19N5OS — CID 898987

IUPAC4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(NC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C11H19N5OS/c1-8(2)12-9-13-10(15-11(14-9)18-3)16-4-6-17-7-5-16/h8H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyYGADGVICEDXYCC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.25
Rot. Bonds4

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

4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 898987) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID898987
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(NC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C11H19N5OS/c1-8(2)12-9-13-10(15-11(14-9)18-3)16-4-6-17-7-5-16/h8H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyYGADGVICEDXYCC-UHFFFAOYSA-N
XLogP1.25
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.25
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-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 898987) is 4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine is CSc1nc(NC(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is YGADGVICEDXYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8(2)12-9-13-10(15-11(14-9)18-3)16-4-6-17-7-5-16/h8H,4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of 4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 1.25, 4 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-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 898987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).