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

C13H19N3O4S — CID 1073918

IUPAC4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O4S/c1-8(2)10-11(18)14-13(15-12(10)19)21-7-9(17)16-3-5-20-6-4-16/h8H,3-7H2,1-2H3,(H2,14,15,18,19)
InChIKeyVVRHSLLNBBEXLN-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.55
Rot. Bonds4

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

4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 1073918) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID1073918
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O4S/c1-8(2)10-11(18)14-13(15-12(10)19)21-7-9(17)16-3-5-20-6-4-16/h8H,3-7H2,1-2H3,(H2,14,15,18,19)
InChIKeyVVRHSLLNBBEXLN-UHFFFAOYSA-N
XLogP0.55
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 1073918) is 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is VVRHSLLNBBEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-8(2)10-11(18)14-13(15-12(10)19)21-7-9(17)16-3-5-20-6-4-16/h8H,3-7H2,1-2H3,(H2,14,15,18,19).
What are the key properties of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 313.38 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 1073918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).