1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one

C18H16N6OS — CID 164618350

IUPAC1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cncnc1
InChIInChI=1S/C18H16N6OS/c1-12(13-8-19-11-20-9-13)26-18-22-16-15(10-21-23(16)2)17(25)24(18)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyBOHYGHCQWOSGHW-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.76
Rot. Bonds4

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

1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 164618350) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID164618350
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cncnc1
InChIInChI=1S/C18H16N6OS/c1-12(13-8-19-11-20-9-13)26-18-22-16-15(10-21-23(16)2)17(25)24(18)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyBOHYGHCQWOSGHW-UHFFFAOYSA-N
XLogP2.76
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 164618350) is 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cncnc1.
What is the InChIKey of 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BOHYGHCQWOSGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-12(13-8-19-11-20-9-13)26-18-22-16-15(10-21-23(16)2)17(25)24(18)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 364.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 164618350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).