2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

C11H14N4O — CID 135997554

IUPAC2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2nn(C3CCCCC3)cc12
InChIInChI=1S/C11H14N4O/c16-11-9-6-15(8-4-2-1-3-5-8)14-10(9)12-7-13-11/h6-8H,1-5H2,(H,12,13,14,16)
InChIKeyLIPXOWAVYJNQEE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds1

About 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135997554) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135997554
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2nn(C3CCCCC3)cc12
InChIInChI=1S/C11H14N4O/c16-11-9-6-15(8-4-2-1-3-5-8)14-10(9)12-7-13-11/h6-8H,1-5H2,(H,12,13,14,16)
InChIKeyLIPXOWAVYJNQEE-UHFFFAOYSA-N
XLogP1.62
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one
CID 24880057
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
3-bromo-1-cyclopentyl-1,2,4-triazole
CID 119053455
2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine
CID 141189477
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954302
1,7-dihydropurin-6-one
CID 135546991
5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136973650
2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 82396168
5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136955958
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
CID 146680336

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135997554) is 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2nn(C3CCCCC3)cc12.
What is the InChIKey of 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is LIPXOWAVYJNQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-11-9-6-15(8-4-2-1-3-5-8)14-10(9)12-7-13-11/h6-8H,1-5H2,(H,12,13,14,16).
What are the key properties of 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135997554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).