5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one

C13H14N4OS — CID 39834583

IUPAC5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1csc2ncn(CCCn3cccn3)c(=O)c12
InChIInChI=1S/C13H14N4OS/c1-10-8-19-12-11(10)13(18)16(9-14-12)5-3-7-17-6-2-4-15-17/h2,4,6,8-9H,3,5,7H2,1H3
InChIKeyHCDZTZNYPGMUOY-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.05
Rot. Bonds4

About 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one

5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 39834583) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID39834583
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1csc2ncn(CCCn3cccn3)c(=O)c12
InChIInChI=1S/C13H14N4OS/c1-10-8-19-12-11(10)13(18)16(9-14-12)5-3-7-17-6-2-4-15-17/h2,4,6,8-9H,3,5,7H2,1H3
InChIKeyHCDZTZNYPGMUOY-UHFFFAOYSA-N
XLogP2.05
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 39818679
5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709146
5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 731331
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
4-[5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897267
6-(3-pyrazol-1-ylpropyl)-1,6-naphthyridin-5-one
CID 72935300
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
CID 2792004
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-ethyl-5-methyl-2-(pyrimidin-2-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 167765980
4-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897471
N-ethyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 17452209

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one (CID 39834583) is 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one is Cc1csc2ncn(CCCn3cccn3)c(=O)c12.
What is the InChIKey of 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HCDZTZNYPGMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-10-8-19-12-11(10)13(18)16(9-14-12)5-3-7-17-6-2-4-15-17/h2,4,6,8-9H,3,5,7H2,1H3.
What are the key properties of 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one?
5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 274.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39834583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).