3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide

C19H32N4OS — CID 9473857

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)NCCCN2CCCC[C@@H]2C)c(C)n1
InChIInChI=1S/C19H32N4OS/c1-14-8-5-6-12-23(14)13-7-11-20-18(24)10-9-17-15(2)21-19(25-4)22-16(17)3/h14H,5-13H2,1-4H3,(H,20,24)/t14-/m0/s1
InChIKeyKWHYQMAAWRUQIC-AWEZNQCLSA-N
MW364.56 g/mol
LogP3.13
Rot. Bonds8

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide (PubChem CID 9473857) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide
PubChem CID9473857
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)NCCCN2CCCC[C@@H]2C)c(C)n1
InChIInChI=1S/C19H32N4OS/c1-14-8-5-6-12-23(14)13-7-11-20-18(24)10-9-17-15(2)21-19(25-4)22-16(17)3/h14H,5-13H2,1-4H3,(H,20,24)/t14-/m0/s1
InChIKeyKWHYQMAAWRUQIC-AWEZNQCLSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
CID 55629292
N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324603
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
CID 47036264
2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 42753873
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 18160268
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472887
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 51221562
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide (CID 9473857) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide is CSc1nc(C)c(CCC(=O)NCCCN2CCCC[C@@H]2C)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide?
The InChIKey is KWHYQMAAWRUQIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-14-8-5-6-12-23(14)13-7-11-20-18(24)10-9-17-15(2)21-19(25-4)22-16(17)3/h14H,5-13H2,1-4H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide has a molecular weight of 364.56 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide is sourced from PubChem (CID 9473857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).