1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

C7H8N4O2 — CID 135426858

IUPAC1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c2c(cnn2C)c1=O
InChIInChI=1S/C7H8N4O2/c1-10-6(12)4-3-8-11(2)5(4)9-7(10)13/h3H,1-2H3,(H,9,13)
InChIKeyQEIXSXWGXSQULN-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.04
Rot. Bonds

About 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 135426858) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID135426858
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c2c(cnn2C)c1=O
InChIInChI=1S/C7H8N4O2/c1-10-6(12)4-3-8-11(2)5(4)9-7(10)13/h3H,1-2H3,(H,9,13)
InChIKeyQEIXSXWGXSQULN-UHFFFAOYSA-N
XLogP-1.04
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135485986
1-methyl-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135436410
6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137067856
1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137067855
methyl 2-chloro-5-(1-methyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidin-5-yl)benzoate
CID 139225097
3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 135502832
1-methyl-9-(1-methyl-2,6-dioxo-3H-purin-9-yl)-3H-purine-2,6-dione
CID 57143620
3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione
CID 130008186
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 67557929
1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 135402395
6-bromo-3-methyl-1H-quinazoline-2,4-dione
CID 3881862

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (CID 135426858) is 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is Cn1c(=O)[nH]c2c(cnn2C)c1=O.
What is the InChIKey of 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is QEIXSXWGXSQULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-10-6(12)4-3-8-11(2)5(4)9-7(10)13/h3H,1-2H3,(H,9,13).
What are the key properties of 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 180.17 g/mol, XLogP of -1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135426858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).