4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine

C13H20N4O2S — CID 1484531

IUPAC4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine
SMILESCSc1nc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C13H20N4O2S/c1-20-13-14-11(16-2-6-18-7-3-16)10-12(15-13)17-4-8-19-9-5-17/h10H,2-9H2,1H3
InChIKeyPMNLAIYZDZLQBO-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.87
Rot. Bonds3

About 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine

4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine (PubChem CID 1484531) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine
PubChem CID1484531
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine
SMILESCSc1nc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C13H20N4O2S/c1-20-13-14-11(16-2-6-18-7-3-16)10-12(15-13)17-4-8-19-9-5-17/h10H,2-9H2,1H3
InChIKeyPMNLAIYZDZLQBO-UHFFFAOYSA-N
XLogP0.87
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine (CID 1484531) is 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine is CSc1nc(N2CCOCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine?
The InChIKey is PMNLAIYZDZLQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-20-13-14-11(16-2-6-18-7-3-16)10-12(15-13)17-4-8-19-9-5-17/h10H,2-9H2,1H3.
What are the key properties of 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine?
4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine has a molecular weight of 296.40 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 1484531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).