3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide

C18H30N4OS — CID 30540760

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NCCCN2CCCCC2)c(C)n1
InChIInChI=1S/C18H30N4OS/c1-14-16(15(2)21-18(20-14)24-3)8-9-17(23)19-10-7-13-22-11-5-4-6-12-22/h4-13H2,1-3H3,(H,19,23)
InChIKeySEUSNLVRIDWOOE-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.74
Rot. Bonds8

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

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 30540760) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID30540760
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NCCCN2CCCCC2)c(C)n1
InChIInChI=1S/C18H30N4OS/c1-14-16(15(2)21-18(20-14)24-3)8-9-17(23)19-10-7-13-22-11-5-4-6-12-22/h4-13H2,1-3H3,(H,19,23)
InChIKeySEUSNLVRIDWOOE-UHFFFAOYSA-N
XLogP2.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.74
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-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide
CID 9473857
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
CID 55629292
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 55933326
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]propan-1-one
CID 56544815
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 17454590
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 46438075
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84565906
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(3-methylphenoxy)propyl]propanamide
CID 46524305
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 18119234

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide (CID 30540760) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide is CSc1nc(C)c(CCC(=O)NCCCN2CCCCC2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is SEUSNLVRIDWOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-14-16(15(2)21-18(20-14)24-3)8-9-17(23)19-10-7-13-22-11-5-4-6-12-22/h4-13H2,1-3H3,(H,19,23).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 350.53 g/mol, XLogP of 2.74, 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-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 30540760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).