5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane

C42H59N9S2 — CID 159243171

IUPAC5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane
SMILESCC.CC.CC.CC.Cc1cc(C)n2nccc2n1.Cc1nc(C)c2ccccc2n1.Cc1nc(C)c2ccsc2n1.Cc1nc(C)c2sccc2n1
InChIInChI=1S/C10H10N2.C8H9N3.2C8H8N2S.4C2H6/c1-7-9-5-3-4-6-10(9)12-8(2)11-7;1-6-5-7(2)11-8(10-6)3-4-9-11;1-5-8-7(3-4-11-8)10-6(2)9-5;1-5-7-3-4-11-8(7)10-6(2)9-5;4*1-2/h3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;4*1-2H3
InChIKeyKUISKSZULSLMLQ-UHFFFAOYSA-N
MW754.13 g/mol
LogP12.31
Rot. Bonds

About 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane

5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane (PubChem CID 159243171) has the molecular formula C42H59N9S2 and a molecular weight of 754.13 g/mol. Its IUPAC name is 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane.

Molecular Properties

Compound Name5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane
PubChem CID159243171
Molecular FormulaC42H59N9S2
Molecular Weight754.13 g/mol
Exact Mass753.43
IUPAC Name5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane
SMILESCC.CC.CC.CC.Cc1cc(C)n2nccc2n1.Cc1nc(C)c2ccccc2n1.Cc1nc(C)c2ccsc2n1.Cc1nc(C)c2sccc2n1
InChIInChI=1S/C10H10N2.C8H9N3.2C8H8N2S.4C2H6/c1-7-9-5-3-4-6-10(9)12-8(2)11-7;1-6-5-7(2)11-8(10-6)3-4-9-11;1-5-8-7(3-4-11-8)10-6(2)9-5;1-5-7-3-4-11-8(7)10-6(2)9-5;4*1-2/h3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;4*1-2H3
InChIKeyKUISKSZULSLMLQ-UHFFFAOYSA-N
XLogP12.31
TPSA107.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.13
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane?
The IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane (CID 159243171) is 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane.
What is the SMILES notation for 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane?
The canonical SMILES for 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane is CC.CC.CC.CC.Cc1cc(C)n2nccc2n1.Cc1nc(C)c2ccccc2n1.Cc1nc(C)c2ccsc2n1.Cc1nc(C)c2sccc2n1.
What is the InChIKey of 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane?
The InChIKey is KUISKSZULSLMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C8H9N3.2C8H8N2S.4C2H6/c1-7-9-5-3-4-6-10(9)12-8(2)11-7;1-6-5-7(2)11-8(10-6)3-4-9-11;1-5-8-7(3-4-11-8)10-6(2)9-5;1-5-7-3-4-11-8(7)10-6(2)9-5;4*1-2/h3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;4*1-2H3.
What are the key properties of 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane?
5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane has a molecular weight of 754.13 g/mol, XLogP of 12.31, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylpyrazolo[1,5-a]pyrimidine;2,4-dimethylquinazoline;2,4-dimethylthieno[2,3-d]pyrimidine;2,4-dimethylthieno[3,2-d]pyrimidine;ethane is sourced from PubChem (CID 159243171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).