3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide

C19H32N4O2S — CID 55629292

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)NCCCN2CC(C)OC(C)C2)c(C)n1
InChIInChI=1S/C19H32N4O2S/c1-13-11-23(12-14(2)25-13)10-6-9-20-18(24)8-7-17-15(3)21-19(26-5)22-16(17)4/h13-14H,6-12H2,1-5H3,(H,20,24)
InChIKeyYWJSPFLMZVNYNN-UHFFFAOYSA-N
MW380.56 g/mol
LogP2.36
Rot. Bonds8

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide (PubChem CID 55629292) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
PubChem CID55629292
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)NCCCN2CC(C)OC(C)C2)c(C)n1
InChIInChI=1S/C19H32N4O2S/c1-13-11-23(12-14(2)25-13)10-6-9-20-18(24)8-7-17-15(3)21-19(26-5)22-16(17)4/h13-14H,6-12H2,1-5H3,(H,20,24)
InChIKeyYWJSPFLMZVNYNN-UHFFFAOYSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide
CID 9473857
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 55933326
7-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]heptanamide;dihydrochloride
CID 119840980
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 60515902
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 94025784
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39113661
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride
CID 120564879

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide (CID 55629292) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide is CSc1nc(C)c(CCC(=O)NCCCN2CC(C)OC(C)C2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide?
The InChIKey is YWJSPFLMZVNYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-13-11-23(12-14(2)25-13)10-6-9-20-18(24)8-7-17-15(3)21-19(26-5)22-16(17)4/h13-14H,6-12H2,1-5H3,(H,20,24).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide has a molecular weight of 380.56 g/mol, XLogP of 2.36, 8 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-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide is sourced from PubChem (CID 55629292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).