3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C7H8N4O — CID 142226184

IUPAC3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2c(C)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C7H8N4O/c1-3-5-6(11-10-3)7(12)9-4(2)8-5/h1-2H3,(H,10,11)(H,8,9,12)
InChIKeyCLDBFOAIKANZJK-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.26
Rot. Bonds

About 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 142226184) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID142226184
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2c(C)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C7H8N4O/c1-3-5-6(11-10-3)7(12)9-4(2)8-5/h1-2H3,(H,10,11)(H,8,9,12)
InChIKeyCLDBFOAIKANZJK-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-methyl-3-[1-(4-methylphenyl)ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137286582
3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 162578810
2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 132588390
8-amino-2-methyl-3H-quinazolin-4-one
CID 135981165
2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136692837
2,7-dimethyl-3H-pteridin-4-one
CID 135822589
4,5-dichloro-2-methyl-1H-pyrimidin-6-one
CID 135621449
4-chloro-2,5-dimethyl-1H-pyrimidin-6-one
CID 135538365
5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one
CID 135416969
6-bromo-2-methyl-3H-pteridin-4-one
CID 136981391
2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one
CID 149062893
1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832631

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 142226184) is 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is Cc1nc2c(C)[nH]nc2c(=O)[nH]1.
What is the InChIKey of 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is CLDBFOAIKANZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-3-5-6(11-10-3)7(12)9-4(2)8-5/h1-2H3,(H,10,11)(H,8,9,12).
What are the key properties of 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-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 3,5-dimethyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 142226184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).