6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C13H12N4O — CID 135444506

IUPAC6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)[nH]c(C)nc32)cc1
InChIInChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-12-11(7-14-17)13(18)16-9(2)15-12/h3-7H,1-2H3,(H,15,16,18)
InChIKeyYYBVKQNWVMUVIH-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.73
Rot. Bonds1

About 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135444506) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135444506
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)[nH]c(C)nc32)cc1
InChIInChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-12-11(7-14-17)13(18)16-9(2)15-12/h3-7H,1-2H3,(H,15,16,18)
InChIKeyYYBVKQNWVMUVIH-UHFFFAOYSA-N
XLogP1.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135529304
1-(4-methylphenyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135418830
1-(4-methylphenyl)-6-(1-phenylethylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135468340
1-(4-fluorophenyl)-6-[(4-methylphenyl)methylsulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135423587
6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275090
1-(4-methylphenyl)-6-phenacylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135464775
1-(4-methoxyphenyl)-6-[(4-methylphenyl)methylsulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637709
ethyl (2S)-2-[[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]butanoate
CID 135833785
ethyl 2-[[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]butanoate
CID 135487901
methyl (2R)-2-[[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]butanoate
CID 135833788
1-(4-methylphenyl)-6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135412427
1-(3-methylphenyl)-6-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637867

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135444506) is 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)[nH]c(C)nc32)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YYBVKQNWVMUVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-12-11(7-14-17)13(18)16-9(2)15-12/h3-7H,1-2H3,(H,15,16,18).
What are the key properties of 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135444506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).