4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine

C13H14N4S — CID 750246

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(-n3nc(C)cc3C)ncnc2s1
InChIInChI=1S/C13H14N4S/c1-4-10-6-11-12(14-7-15-13(11)18-10)17-9(3)5-8(2)16-17/h5-7H,4H2,1-3H3
InChIKeyQQRSNPAHELACHW-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.06
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 750246) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID750246
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(-n3nc(C)cc3C)ncnc2s1
InChIInChI=1S/C13H14N4S/c1-4-10-6-11-12(14-7-15-13(11)18-10)17-9(3)5-8(2)16-17/h5-7H,4H2,1-3H3
InChIKeyQQRSNPAHELACHW-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
4-{4-[5-(Difluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297462
6-(2,2,2-Trifluoroethyl)-4-{4-[5-(Trifluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}thieno[2,3-D]pyrimidine
CID 86297465
4-[4-(5-Methyl-1,3,4-Thiadiazol-2-Yl)piperazin-1-Yl]-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 90453086
4-{4-[5-(Fluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297674
4-(Benzotriazol-1-yl)thieno[2,3-d]pyrimidine
CID 2469161
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
5-(6-Ethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 2807642
5,6-Dimethyl-4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}thieno[2,3-d]pyrimidine
CID 3613241
3-{Thieno[2,3-d]pyrimidin-4-ylsulfanyl}-[1,2,4]triazolo[4,3-a]pyridine
CID 9110636
Alk-5-IN-1
CID 24880914
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 52948010

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 750246) is 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(-n3nc(C)cc3C)ncnc2s1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is QQRSNPAHELACHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-4-10-6-11-12(14-7-15-13(11)18-10)17-9(3)5-8(2)16-17/h5-7H,4H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 258.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 750246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).