4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one

C9H13N3OS — CID 135630704

IUPAC4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCSCC2)n1
InChIInChI=1S/C9H13N3OS/c1-7-6-8(13)11-9(10-7)12-2-4-14-5-3-12/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyXFWIXMZIPZINQU-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.63
Rot. Bonds1

About 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one

4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135630704) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135630704
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCSCC2)n1
InChIInChI=1S/C9H13N3OS/c1-7-6-8(13)11-9(10-7)12-2-4-14-5-3-12/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyXFWIXMZIPZINQU-UHFFFAOYSA-N
XLogP0.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one (CID 135630704) is 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCSCC2)n1.
What is the InChIKey of 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is XFWIXMZIPZINQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-6-8(13)11-9(10-7)12-2-4-14-5-3-12/h6H,2-5H2,1H3,(H,10,11,13).
What are the key properties of 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 211.29 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135630704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).