(4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one

C11H17N3O3S — CID 40724288

IUPAC(4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESC[C@H]1CC(=O)NC(SCC(=O)N2CCOCC2)=N1
InChIInChI=1S/C11H17N3O3S/c1-8-6-9(15)13-11(12-8)18-7-10(16)14-2-4-17-5-3-14/h8H,2-7H2,1H3,(H,12,13,15)/t8-/m0/s1
InChIKeyXKEWGQNSSLMTGS-QMMMGPOBSA-N
MW271.34 g/mol
LogP-0.16
Rot. Bonds2

About (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one

(4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 40724288) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID40724288
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESC[C@H]1CC(=O)NC(SCC(=O)N2CCOCC2)=N1
InChIInChI=1S/C11H17N3O3S/c1-8-6-9(15)13-11(12-8)18-7-10(16)14-2-4-17-5-3-14/h8H,2-7H2,1H3,(H,12,13,15)/t8-/m0/s1
InChIKeyXKEWGQNSSLMTGS-QMMMGPOBSA-N
XLogP-0.16
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one (CID 40724288) is (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one is C[C@H]1CC(=O)NC(SCC(=O)N2CCOCC2)=N1.
What is the InChIKey of (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is XKEWGQNSSLMTGS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-6-9(15)13-11(12-8)18-7-10(16)14-2-4-17-5-3-14/h8H,2-7H2,1H3,(H,12,13,15)/t8-/m0/s1.
What are the key properties of (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one?
(4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 271.34 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 40724288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).