4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

C11H15N3O4S — CID 1462878

IUPAC4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H15N3O4S/c1-7-9(16)12-11(13-10(7)17)19-6-8(15)14-2-4-18-5-3-14/h2-6H2,1H3,(H2,12,13,16,17)
InChIKeyZUFXMBRQIRMYBF-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.27
Rot. Bonds3

About 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 1462878) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID1462878
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H15N3O4S/c1-7-9(16)12-11(13-10(7)17)19-6-8(15)14-2-4-18-5-3-14/h2-6H2,1H3,(H2,12,13,16,17)
InChIKeyZUFXMBRQIRMYBF-UHFFFAOYSA-N
XLogP-0.27
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 1462878) is 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is Cc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZUFXMBRQIRMYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7-9(16)12-11(13-10(7)17)19-6-8(15)14-2-4-18-5-3-14/h2-6H2,1H3,(H2,12,13,16,17).
What are the key properties of 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 285.32 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 1462878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).