4-(5-methylsulfanylpyrimidin-2-yl)morpholine

C9H13N3OS — CID 163846738

IUPAC4-(5-methylsulfanylpyrimidin-2-yl)morpholine
SMILESCSc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C9H13N3OS/c1-14-8-6-10-9(11-7-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3
InChIKeyOQVYNLMTJFMDRO-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.04
Rot. Bonds2

About 4-(5-methylsulfanylpyrimidin-2-yl)morpholine

4-(5-methylsulfanylpyrimidin-2-yl)morpholine (PubChem CID 163846738) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-(5-methylsulfanylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-methylsulfanylpyrimidin-2-yl)morpholine
PubChem CID163846738
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-(5-methylsulfanylpyrimidin-2-yl)morpholine
SMILESCSc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C9H13N3OS/c1-14-8-6-10-9(11-7-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3
InChIKeyOQVYNLMTJFMDRO-UHFFFAOYSA-N
XLogP1.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(5-methylsulfanylpyrimidin-2-yl)morpholine (CID 163846738) is 4-(5-methylsulfanylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(5-methylsulfanylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(5-methylsulfanylpyrimidin-2-yl)morpholine is CSc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 4-(5-methylsulfanylpyrimidin-2-yl)morpholine?
The InChIKey is OQVYNLMTJFMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-14-8-6-10-9(11-7-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-methylsulfanylpyrimidin-2-yl)morpholine?
4-(5-methylsulfanylpyrimidin-2-yl)morpholine has a molecular weight of 211.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 163846738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).