2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C12H14N4OS — CID 136677188

IUPAC2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCCCn1cc(-c2nc3c(c(=O)[nH]2)CSC3)cn1
InChIInChI=1S/C12H14N4OS/c1-2-3-16-5-8(4-13-16)11-14-10-7-18-6-9(10)12(17)15-11/h4-5H,2-3,6-7H2,1H3,(H,14,15,17)
InChIKeyOHBKUFWJHHZPQZ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.79
Rot. Bonds3

About 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 136677188) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID136677188
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCCCn1cc(-c2nc3c(c(=O)[nH]2)CSC3)cn1
InChIInChI=1S/C12H14N4OS/c1-2-3-16-5-8(4-13-16)11-14-10-7-18-6-9(10)12(17)15-11/h4-5H,2-3,6-7H2,1H3,(H,14,15,17)
InChIKeyOHBKUFWJHHZPQZ-UHFFFAOYSA-N
XLogP1.79
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677186
2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 95732712
4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677185
8-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 22266739
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779495
5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 63611285
2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetyl chloride
CID 57429672
[2-(1-propylpyrazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 103573096
5-bromo-2-(1-ethylpyrazol-4-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136677135
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
1-propyl-4-(1H-pyrazol-4-yl)pyrazole
CID 131201406

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 136677188) is 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is CCCn1cc(-c2nc3c(c(=O)[nH]2)CSC3)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is OHBKUFWJHHZPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-3-16-5-8(4-13-16)11-14-10-7-18-6-9(10)12(17)15-11/h4-5H,2-3,6-7H2,1H3,(H,14,15,17).
What are the key properties of 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 262.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136677188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).