2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone

C17H19N3O2S — CID 740781

IUPAC2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C17H19N3O2S/c1-13-11-16(20-7-9-22-10-8-20)19-17(18-13)23-12-15(21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyPEGPJEMUAPLVGJ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone

2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone (PubChem CID 740781) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone
PubChem CID740781
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C17H19N3O2S/c1-13-11-16(20-7-9-22-10-8-20)19-17(18-13)23-12-15(21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyPEGPJEMUAPLVGJ-UHFFFAOYSA-N
XLogP2.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-Difluoro-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 694586
1-(4-Fluorophenyl)-2-[4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]sulfanylethanone
CID 155520650
2-(4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanyl)-1-phenyl-ethanone
CID 653296
2-(4-Methyl-6-pyrrolidin-1-yl-pyrimidin-2-ylsulfanyl)-1-phenyl-ethanone
CID 865548
1-(4-Chlorophenyl)-2-((4-methyl-6-morpholinopyrimidin-2-yl)thio)ethanone
CID 2141445
1-Morpholin-4-yl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
CID 3145570
2-[4-Methyl-6-(4-methylpiperidyl)pyrimidin-2-ylthio]-1-phenylethan-1-one
CID 3167314
3-[(4,6-Dimethylpyrimidin-2-yl)thio]-1-phenylprop-2-en-1-one
CID 5713202
(E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)prop-2-en-1-one
CID 5713206
4-(6-((Methylsulfanyl)methyl)-2-phenyl-4-pyrimidinyl)morpholine
CID 1471380
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
CID 715412
Ethanone, 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-phenyl-
CID 665089

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone (CID 740781) is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone is Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)n1.
What is the InChIKey of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone?
The InChIKey is PEGPJEMUAPLVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-11-16(20-7-9-22-10-8-20)19-17(18-13)23-12-15(21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone?
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone has a molecular weight of 329.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 740781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).