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

C13H14N4S — CID 659414

IUPAC4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1cc(C)n(-c2ncnc3sc(C)c(C)c23)n1
InChIInChI=1S/C13H14N4S/c1-7-5-8(2)17(16-7)12-11-9(3)10(4)18-13(11)15-6-14-12/h5-6H,1-4H3
InChIKeyMGONAEQHSPRHTR-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.11
Rot. Bonds1

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

4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 659414) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID659414
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1cc(C)n(-c2ncnc3sc(C)c(C)c23)n1
InChIInChI=1S/C13H14N4S/c1-7-5-8(2)17(16-7)12-11-9(3)10(4)18-13(11)15-6-14-12/h5-6H,1-4H3
InChIKeyMGONAEQHSPRHTR-UHFFFAOYSA-N
XLogP3.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 659414) is 4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1cc(C)n(-c2ncnc3sc(C)c(C)c23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is MGONAEQHSPRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-7-5-8(2)17(16-7)12-11-9(3)10(4)18-13(11)15-6-14-12/h5-6H,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 258.35 g/mol, XLogP of 3.11, 1 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)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 659414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).