(2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

C16H23N3O3S — CID 25496187

IUPAC(2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCCc1nc(C)c(C(C)=O)c(S[C@@H](C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H23N3O3S/c1-5-13-17-10(2)14(11(3)20)15(18-13)23-12(4)16(21)19-6-8-22-9-7-19/h12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyZMMQHXKSBIRWIZ-LBPRGKRZSA-N
MW337.45 g/mol
LogP1.89
Rot. Bonds5

About (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

(2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 25496187) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID25496187
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name(2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCCc1nc(C)c(C(C)=O)c(S[C@@H](C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H23N3O3S/c1-5-13-17-10(2)14(11(3)20)15(18-13)23-12(4)16(21)19-6-8-22-9-7-19/h12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyZMMQHXKSBIRWIZ-LBPRGKRZSA-N
XLogP1.89
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 43117472
2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25475983
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 40791078
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
4-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514289
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 16506691
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346
(2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone
CID 166268566
1-morpholin-4-yl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 16517808
(2R)-1-(4-benzylpiperidin-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 30091571
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41099390
2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 66354946

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 25496187) is (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is CCc1nc(C)c(C(C)=O)c(S[C@@H](C)C(=O)N2CCOCC2)n1.
What is the InChIKey of (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZMMQHXKSBIRWIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-5-13-17-10(2)14(11(3)20)15(18-13)23-12(4)16(21)19-6-8-22-9-7-19/h12H,5-9H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
(2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 337.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 25496187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).