4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine

C18H16N4S — CID 703896

IUPAC4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(-n4nc(C)cc4C)c23)cc1
InChIInChI=1S/C18H16N4S/c1-11-4-6-14(7-5-11)15-9-23-18-16(15)17(19-10-20-18)22-13(3)8-12(2)21-22/h4-10H,1-3H3
InChIKeyCKHYFQBXYGJKAK-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.47
Rot. Bonds2

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

4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine (PubChem CID 703896) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
PubChem CID703896
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(-n4nc(C)cc4C)c23)cc1
InChIInChI=1S/C18H16N4S/c1-11-4-6-14(7-5-11)15-9-23-18-16(15)17(19-10-20-18)22-13(3)8-12(2)21-22/h4-10H,1-3H3
InChIKeyCKHYFQBXYGJKAK-UHFFFAOYSA-N
XLogP4.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.47
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-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine (CID 703896) is 4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine is Cc1ccc(-c2csc3ncnc(-n4nc(C)cc4C)c23)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is CKHYFQBXYGJKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-11-4-6-14(7-5-11)15-9-23-18-16(15)17(19-10-20-18)22-13(3)8-12(2)21-22/h4-10H,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 320.42 g/mol, XLogP of 4.47, 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)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 703896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).