6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one

C11H15N3O3S — CID 7183942

IUPAC6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one
SMILESCc1cc(SCC(=O)N2CCOCC2)nc(=O)[nH]1
InChIInChI=1S/C11H15N3O3S/c1-8-6-9(13-11(16)12-8)18-7-10(15)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,16)
InChIKeyOEVARMNRVOMURO-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.03
Rot. Bonds3

About 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one

6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one (PubChem CID 7183942) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one
PubChem CID7183942
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one
SMILESCc1cc(SCC(=O)N2CCOCC2)nc(=O)[nH]1
InChIInChI=1S/C11H15N3O3S/c1-8-6-9(13-11(16)12-8)18-7-10(15)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,16)
InChIKeyOEVARMNRVOMURO-UHFFFAOYSA-N
XLogP0.03
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one (CID 7183942) is 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one is Cc1cc(SCC(=O)N2CCOCC2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one?
The InChIKey is OEVARMNRVOMURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8-6-9(13-11(16)12-8)18-7-10(15)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,16).
What are the key properties of 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one?
6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one has a molecular weight of 269.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one is sourced from PubChem (CID 7183942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).