3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C7H8N4O — CID 135408739

IUPAC3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2n[nH]c(C)c2c(=O)[nH]1
InChIInChI=1S/C7H8N4O/c1-3-5-6(11-10-3)8-4(2)9-7(5)12/h1-2H3,(H2,8,9,10,11,12)
InChIKeyKUUFSAWXLYABET-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.26
Rot. Bonds

About 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135408739) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135408739
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2n[nH]c(C)c2c(=O)[nH]1
InChIInChI=1S/C7H8N4O/c1-3-5-6(11-10-3)8-4(2)9-7(5)12/h1-2H3,(H2,8,9,10,11,12)
InChIKeyKUUFSAWXLYABET-UHFFFAOYSA-N
XLogP0.26
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-methyl-1H-pyrazole-4-carboxamide
CID 358965
3-amino-6-methyl-1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-one
CID 135871115
3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135780309
5-amino-N,3-dimethyl-1H-pyrazole-4-carboxamide
CID 43159399
6-Tert-butyl-3-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 136355371
3-(Trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137216531
6-(Dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 140875026
1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 140875029
6-Pyrrolidin-3-yl-3-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 169793004
6-Iodo-3-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 170115328
3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 178026719
3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 63227915

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 135408739) is 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is Cc1nc2n[nH]c(C)c2c(=O)[nH]1.
What is the InChIKey of 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is KUUFSAWXLYABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-3-5-6(11-10-3)8-4(2)9-7(5)12/h1-2H3,(H2,8,9,10,11,12).
What are the key properties of 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 164.17 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135408739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).