3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide

C17H28N4O2S — CID 55723416

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC(C)CN2CCOCC2)c(C)n1
InChIInChI=1S/C17H28N4O2S/c1-12(11-21-7-9-23-10-8-21)18-16(22)6-5-15-13(2)19-17(24-4)20-14(15)3/h12H,5-11H2,1-4H3,(H,18,22)
InChIKeyOWVSKPYHSYBWMN-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.58
Rot. Bonds7

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide (PubChem CID 55723416) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
PubChem CID55723416
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC(C)CN2CCOCC2)c(C)n1
InChIInChI=1S/C17H28N4O2S/c1-12(11-21-7-9-23-10-8-21)18-16(22)6-5-15-13(2)19-17(24-4)20-14(15)3/h12H,5-11H2,1-4H3,(H,18,22)
InChIKeyOWVSKPYHSYBWMN-UHFFFAOYSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 43050204
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 79201323
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322
N-[(1S)-1-cyanoethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 95253870
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851619
(2S)-2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-propylpropanamide
CID 9227885
N-[(1R)-1-(1-adamantyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 7669232
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]propanamide
CID 51947919
2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N,4-dimethylpentanamide
CID 55842907
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 19575831
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 30540760
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30184017

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide (CID 55723416) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide is CSc1nc(C)c(CCC(=O)NC(C)CN2CCOCC2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The InChIKey is OWVSKPYHSYBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-12(11-21-7-9-23-10-8-21)18-16(22)6-5-15-13(2)19-17(24-4)20-14(15)3/h12H,5-11H2,1-4H3,(H,18,22).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide has a molecular weight of 352.50 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 55723416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).