6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one

C16H12N6O — CID 122190738

IUPAC6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ncccn1
InChIInChI=1S/C16H12N6O/c1-11-20-14-13(10-19-22(14)12-6-3-2-4-7-12)15(23)21(11)16-17-8-5-9-18-16/h2-10H,1H3
InChIKeyJRFDGYCTBWDFGN-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.67
Rot. Bonds2

About 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one

6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 122190738) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID122190738
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ncccn1
InChIInChI=1S/C16H12N6O/c1-11-20-14-13(10-19-22(14)12-6-3-2-4-7-12)15(23)21(11)16-17-8-5-9-18-16/h2-10H,1H3
InChIKeyJRFDGYCTBWDFGN-UHFFFAOYSA-N
XLogP1.67
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one (CID 122190738) is 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ncccn1.
What is the InChIKey of 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JRFDGYCTBWDFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c1-11-20-14-13(10-19-22(14)12-6-3-2-4-7-12)15(23)21(11)16-17-8-5-9-18-16/h2-10H,1H3.
What are the key properties of 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 304.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-5-pyrimidin-2-ylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 122190738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).