1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C10H13N5O — CID 137143252

IUPAC1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCC1c1nc2c(cnn2N)c(=O)[nH]1
InChIInChI=1S/C10H13N5O/c1-5-2-3-6(5)8-13-9-7(10(16)14-8)4-12-15(9)11/h4-6H,2-3,11H2,1H3,(H,13,14,16)
InChIKeyVKOTUFAKWJMXBF-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.35
Rot. Bonds1

About 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137143252) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137143252
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCC1c1nc2c(cnn2N)c(=O)[nH]1
InChIInChI=1S/C10H13N5O/c1-5-2-3-6(5)8-13-9-7(10(16)14-8)4-12-15(9)11/h4-6H,2-3,11H2,1H3,(H,13,14,16)
InChIKeyVKOTUFAKWJMXBF-UHFFFAOYSA-N
XLogP0.35
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136959572
1-(4,4-difluorocyclohexyl)-6-[(1R)-2-(4,5-dimethyl-1,3-oxazol-2-yl)cyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100338
1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263202
cis-(1S,2R)-2-[1-(4,4-difluorocyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-N-[(Z)-ethylideneamino]cyclobutane-1-carboxamide
CID 137138384
1-(oxan-4-yl)-6-[(1S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100350
1-(4,4-difluorocyclohexyl)-6-[(2R)-2-[2-(dimethylamino)-1,3-thiazol-4-yl]cyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100399
1-(4,4-difluorocyclohexyl)-6-[(2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100342
1-(1-hydroxyhexan-3-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100385
1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136641899
6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136641906
N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide
CID 136985307
6-[(3S,4S)-4-ethylpyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydron;chloride
CID 173048906

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137143252) is 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1CCC1c1nc2c(cnn2N)c(=O)[nH]1.
What is the InChIKey of 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VKOTUFAKWJMXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-5-2-3-6(5)8-13-9-7(10(16)14-8)4-12-15(9)11/h4-6H,2-3,11H2,1H3,(H,13,14,16).
What are the key properties of 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 219.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(2-methylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137143252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).