3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C10H14N4O — CID 135839795

IUPAC3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C)nn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H14N4O/c1-5(2)14-9-8(6(3)13-14)10(15)12-7(4)11-9/h5H,1-4H3,(H,11,12,15)
InChIKeyLYABQWSRWQIIQH-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.32
Rot. Bonds1

About 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135839795) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135839795
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C)nn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H14N4O/c1-5(2)14-9-8(6(3)13-14)10(15)12-7(4)11-9/h5H,1-4H3,(H,11,12,15)
InChIKeyLYABQWSRWQIIQH-UHFFFAOYSA-N
XLogP1.32
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide
CID 56822598
3-[3-methyl-4-oxo-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 135415516
5-Amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 223698
5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 136545256
5-Amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 19432842
3-(Difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide
CID 66901616
1-cyclopentyl-3-methyl-6-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135704752
1-tert-butyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 136348768
2-tert-butyl-3-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136355370
2-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136428059
3-(fluoromethyl)-6-methyl-1-[[(1R)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137276130
1-cyclohexyl-3-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137295990

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135839795) is 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C)nn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LYABQWSRWQIIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-5(2)14-9-8(6(3)13-14)10(15)12-7(4)11-9/h5H,1-4H3,(H,11,12,15).
What are the key properties of 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135839795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).