3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide

C20H34N4O2S — CID 43050204

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NCC(CC(C)C)N2CCOCC2)c(C)n1
InChIInChI=1S/C20H34N4O2S/c1-14(2)12-17(24-8-10-26-11-9-24)13-21-19(25)7-6-18-15(3)22-20(27-5)23-16(18)4/h14,17H,6-13H2,1-5H3,(H,21,25)
InChIKeyXDZLFUSJEQESCB-UHFFFAOYSA-N
MW394.59 g/mol
LogP2.61
Rot. Bonds9

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

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide (PubChem CID 43050204) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
PubChem CID43050204
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NCC(CC(C)C)N2CCOCC2)c(C)n1
InChIInChI=1S/C20H34N4O2S/c1-14(2)12-17(24-8-10-26-11-9-24)13-21-19(25)7-6-18-15(3)22-20(27-5)23-16(18)4/h14,17H,6-13H2,1-5H3,(H,21,25)
InChIKeyXDZLFUSJEQESCB-UHFFFAOYSA-N
XLogP2.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 55723416
5-amino-N-(4-methyl-2-morpholin-4-ylpentyl)hexanamide
CID 82849469
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 55520619
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 46438075
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27810795
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide
CID 33314358
2-(4-fluorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 134027111
2-(cyclopropylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 61249539
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N,4-dimethylpentanamide
CID 55842907

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide (CID 43050204) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide is CSc1nc(C)c(CCC(=O)NCC(CC(C)C)N2CCOCC2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The InChIKey is XDZLFUSJEQESCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-14(2)12-17(24-8-10-26-11-9-24)13-21-19(25)7-6-18-15(3)22-20(27-5)23-16(18)4/h14,17H,6-13H2,1-5H3,(H,21,25).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide has a molecular weight of 394.59 g/mol, XLogP of 2.61, 9 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-(4-methyl-2-morpholin-4-ylpentyl)propanamide is sourced from PubChem (CID 43050204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).