4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O2S — CID 103595082

IUPAC4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CSCCN2C)[nH]c1=O
InChIInChI=1S/C12H19N3O2S/c1-7(2)9-11(16)13-10(14-12(9)17)8-6-18-5-4-15(8)3/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17)
InChIKeyQRVNIYIPVOUMDY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.32
Rot. Bonds2

About 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103595082) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103595082
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CSCCN2C)[nH]c1=O
InChIInChI=1S/C12H19N3O2S/c1-7(2)9-11(16)13-10(14-12(9)17)8-6-18-5-4-15(8)3/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17)
InChIKeyQRVNIYIPVOUMDY-UHFFFAOYSA-N
XLogP1.32
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 103595082) is 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2CSCCN2C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QRVNIYIPVOUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)9-11(16)13-10(14-12(9)17)8-6-18-5-4-15(8)3/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 269.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103595082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).