6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

C9H12N4OS — CID 135503405

IUPAC6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCn1cc2c(=O)[nH]c(SC)nc2n1
InChIInChI=1S/C9H12N4OS/c1-3-4-13-5-6-7(12-13)10-9(15-2)11-8(6)14/h5H,3-4H2,1-2H3,(H,10,11,12,14)
InChIKeyBBZKILGSJWOVQG-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.25
Rot. Bonds3

About 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135503405) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135503405
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCn1cc2c(=O)[nH]c(SC)nc2n1
InChIInChI=1S/C9H12N4OS/c1-3-4-13-5-6-7(12-13)10-9(15-2)11-8(6)14/h5H,3-4H2,1-2H3,(H,10,11,12,14)
InChIKeyBBZKILGSJWOVQG-UHFFFAOYSA-N
XLogP1.25
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 1-methyl-
CID 609734
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135483440
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
2-decyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869414
2-nonyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869425
2-undecyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869426

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135503405) is 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is CCCn1cc2c(=O)[nH]c(SC)nc2n1.
What is the InChIKey of 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is BBZKILGSJWOVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-3-4-13-5-6-7(12-13)10-9(15-2)11-8(6)14/h5H,3-4H2,1-2H3,(H,10,11,12,14).
What are the key properties of 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 224.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135503405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).