1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone

C19H23N3O2S — CID 17409352

IUPAC1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
SMILESCc1nc(SC(C(=O)N2CCOCC2)c2ccccc2)nc(C)c1C
InChIInChI=1S/C19H23N3O2S/c1-13-14(2)20-19(21-15(13)3)25-17(16-7-5-4-6-8-16)18(23)22-9-11-24-12-10-22/h4-8,17H,9-12H2,1-3H3
InChIKeyANAFLTPNILDPEA-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.09
Rot. Bonds4

About 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone

1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone (PubChem CID 17409352) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
PubChem CID17409352
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
SMILESCc1nc(SC(C(=O)N2CCOCC2)c2ccccc2)nc(C)c1C
InChIInChI=1S/C19H23N3O2S/c1-13-14(2)20-19(21-15(13)3)25-17(16-7-5-4-6-8-16)18(23)22-9-11-24-12-10-22/h4-8,17H,9-12H2,1-3H3
InChIKeyANAFLTPNILDPEA-UHFFFAOYSA-N
XLogP3.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone (CID 17409352) is 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone is Cc1nc(SC(C(=O)N2CCOCC2)c2ccccc2)nc(C)c1C.
What is the InChIKey of 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The InChIKey is ANAFLTPNILDPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-14(2)20-19(21-15(13)3)25-17(16-7-5-4-6-8-16)18(23)22-9-11-24-12-10-22/h4-8,17H,9-12H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone has a molecular weight of 357.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone is sourced from PubChem (CID 17409352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).