2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one

C7H8N4O — CID 10214412

IUPAC2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(C)cnc2n1
InChIInChI=1S/C7H8N4O/c1-10-4-8-6-5(7(10)12)3-11(2)9-6/h3-4H,1-2H3
InChIKeyNFJBWPALCHLDFB-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.33
Rot. Bonds

About 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one

2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 10214412) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID10214412
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(C)cnc2n1
InChIInChI=1S/C7H8N4O/c1-10-4-8-6-5(7(10)12)3-11(2)9-6/h3-4H,1-2H3
InChIKeyNFJBWPALCHLDFB-UHFFFAOYSA-N
XLogP-0.33
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
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
7-Methyl-7H-pyrazolo(3,4-d)(1,2,3)triazin-4-ol
CID 135495349
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
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
2-decyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869414

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one (CID 10214412) is 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one is Cn1cc2c(=O)n(C)cnc2n1.
What is the InChIKey of 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is NFJBWPALCHLDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-10-4-8-6-5(7(10)12)3-11(2)9-6/h3-4H,1-2H3.
What are the key properties of 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 164.17 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 10214412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).