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

C10H13N3O4S — CID 704327

IUPAC4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)cc(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C10H13N3O4S/c14-7-5-8(15)12-10(11-7)18-6-9(16)13-1-3-17-4-2-13/h5H,1-4,6H2,(H2,11,12,14,15)
InChIKeyCKXLODSMJVZEJZ-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.57
Rot. Bonds3

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

4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 704327) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID704327
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)cc(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C10H13N3O4S/c14-7-5-8(15)12-10(11-7)18-6-9(16)13-1-3-17-4-2-13/h5H,1-4,6H2,(H2,11,12,14,15)
InChIKeyCKXLODSMJVZEJZ-UHFFFAOYSA-N
XLogP-0.57
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.57
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-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 704327) is 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nc(O)cc(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is CKXLODSMJVZEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-7-5-8(15)12-10(11-7)18-6-9(16)13-1-3-17-4-2-13/h5H,1-4,6H2,(H2,11,12,14,15).
What are the key properties of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 271.30 g/mol, XLogP of -0.57, 3 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-1H-pyrimidin-6-one is sourced from PubChem (CID 704327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).