5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one

C18H20N4O2 — CID 153471530

IUPAC5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-13-20-17-16(11-19-22(17)15-7-9-24-10-8-15)18(23)21(13)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3
InChIKeyWRYMSMMHCLFPFM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.30
Rot. Bonds3

About 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one

5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 153471530) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID153471530
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-13-20-17-16(11-19-22(17)15-7-9-24-10-8-15)18(23)21(13)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3
InChIKeyWRYMSMMHCLFPFM-UHFFFAOYSA-N
XLogP2.30
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one (CID 153471530) is 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WRYMSMMHCLFPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-20-17-16(11-19-22(17)15-7-9-24-10-8-15)18(23)21(13)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3.
What are the key properties of 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 324.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 153471530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).