3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C16H23N5OS — CID 30184017

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2ccnn2C(C)C)c(C)n1
InChIInChI=1S/C16H23N5OS/c1-10(2)21-14(8-9-17-21)20-15(22)7-6-13-11(3)18-16(23-5)19-12(13)4/h8-10H,6-7H2,1-5H3,(H,20,22)
InChIKeyIWBAETIVOGDWMJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.16
Rot. Bonds6

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 30184017) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID30184017
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2ccnn2C(C)C)c(C)n1
InChIInChI=1S/C16H23N5OS/c1-10(2)21-14(8-9-17-21)20-15(22)7-6-13-11(3)18-16(23-5)19-12(13)4/h8-10H,6-7H2,1-5H3,(H,20,22)
InChIKeyIWBAETIVOGDWMJ-UHFFFAOYSA-N
XLogP3.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
N-[3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 39131647
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide
CID 7667879
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 46692783
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47038591
2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182174
N-[(1S)-1-cyanoethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 95253870
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39067806
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18198236

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 30184017) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CSc1nc(C)c(CCC(=O)Nc2ccnn2C(C)C)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is IWBAETIVOGDWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-10(2)21-14(8-9-17-21)20-15(22)7-6-13-11(3)18-16(23-5)19-12(13)4/h8-10H,6-7H2,1-5H3,(H,20,22).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 3.16, 6 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-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 30184017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).