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

C16H17N3O3S — CID 135420529

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C16H17N3O3S/c20-14-10-13(12-4-2-1-3-5-12)17-16(18-14)23-11-15(21)19-6-8-22-9-7-19/h1-5,10H,6-9,11H2,(H,17,18,20)
InChIKeyFGSIAMSYJFDDED-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.39
Rot. Bonds4

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

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135420529) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID135420529
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C16H17N3O3S/c20-14-10-13(12-4-2-1-3-5-12)17-16(18-14)23-11-15(21)19-6-8-22-9-7-19/h1-5,10H,6-9,11H2,(H,17,18,20)
InChIKeyFGSIAMSYJFDDED-UHFFFAOYSA-N
XLogP1.39
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one (CID 135420529) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one is O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is FGSIAMSYJFDDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-14-10-13(12-4-2-1-3-5-12)17-16(18-14)23-11-15(21)19-6-8-22-9-7-19/h1-5,10H,6-9,11H2,(H,17,18,20).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 331.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135420529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).