6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

C16H12N4OS — CID 136603187

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(-c3ccccc3)[nH]c(=O)c2s1
InChIInChI=1S/C16H12N4OS/c1-9-11(8-17-20-9)13-7-12-14(22-13)16(21)19-15(18-12)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,20)(H,18,19,21)
InChIKeyAWAQNUBRXGAGBY-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.35
Rot. Bonds2

About 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136603187) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136603187
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(-c3ccccc3)[nH]c(=O)c2s1
InChIInChI=1S/C16H12N4OS/c1-9-11(8-17-20-9)13-7-12-14(22-13)16(21)19-15(18-12)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,20)(H,18,19,21)
InChIKeyAWAQNUBRXGAGBY-UHFFFAOYSA-N
XLogP3.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 136603187) is 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1-c1cc2nc(-c3ccccc3)[nH]c(=O)c2s1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is AWAQNUBRXGAGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-9-11(8-17-20-9)13-7-12-14(22-13)16(21)19-15(18-12)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,20)(H,18,19,21).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 308.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136603187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).