3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

C13H19N3O2S — CID 975615

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(C)nc(SCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-10-9-11(2)15-13(14-10)19-8-3-12(17)16-4-6-18-7-5-16/h9H,3-8H2,1-2H3
InChIKeyBYKCXYLOOXZYIG-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.43
Rot. Bonds4

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 975615) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID975615
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(C)nc(SCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-10-9-11(2)15-13(14-10)19-8-3-12(17)16-4-6-18-7-5-16/h9H,3-8H2,1-2H3
InChIKeyBYKCXYLOOXZYIG-UHFFFAOYSA-N
XLogP1.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one 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

3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
Ethyl 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate
CID 3480031
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113
1-(2,6-Dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one
CID 5166984
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 757646
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2496710
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 650087

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 975615) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is Cc1cc(C)nc(SCCC(=O)N2CCOCC2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is BYKCXYLOOXZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10-9-11(2)15-13(14-10)19-8-3-12(17)16-4-6-18-7-5-16/h9H,3-8H2,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 281.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 975615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).