4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C12H16N6O2S — CID 106928670

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1nc(Sc2nc(N)nc(N3CCOCC3)n2)oc1C
InChIInChI=1S/C12H16N6O2S/c1-7-8(2)20-12(14-7)21-11-16-9(13)15-10(17-11)18-3-5-19-6-4-18/h3-6H2,1-2H3,(H2,13,15,16,17)
InChIKeyZSZYVPAIVVDRPW-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.05
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 106928670) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID106928670
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1nc(Sc2nc(N)nc(N3CCOCC3)n2)oc1C
InChIInChI=1S/C12H16N6O2S/c1-7-8(2)20-12(14-7)21-11-16-9(13)15-10(17-11)18-3-5-19-6-4-18/h3-6H2,1-2H3,(H2,13,15,16,17)
InChIKeyZSZYVPAIVVDRPW-UHFFFAOYSA-N
XLogP1.05
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 106928670) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1nc(Sc2nc(N)nc(N3CCOCC3)n2)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is ZSZYVPAIVVDRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-7-8(2)20-12(14-7)21-11-16-9(13)15-10(17-11)18-3-5-19-6-4-18/h3-6H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 308.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106928670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).