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

C13H19N3O3S — CID 135413053

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C13H19N3O3S/c1-2-3-10-8-11(17)15-13(14-10)20-9-12(18)16-4-6-19-7-5-16/h8H,2-7,9H2,1H3,(H,14,15,17)
InChIKeyFNLWZDUYWROVNJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.67
Rot. Bonds5

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

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135413053) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135413053
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C13H19N3O3S/c1-2-3-10-8-11(17)15-13(14-10)20-9-12(18)16-4-6-19-7-5-16/h8H,2-7,9H2,1H3,(H,14,15,17)
InChIKeyFNLWZDUYWROVNJ-UHFFFAOYSA-N
XLogP0.67
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.67
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-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one (CID 135413053) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is FNLWZDUYWROVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-3-10-8-11(17)15-13(14-10)20-9-12(18)16-4-6-19-7-5-16/h8H,2-7,9H2,1H3,(H,14,15,17).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 297.38 g/mol, XLogP of 0.67, 5 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135413053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).