6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H22N4O2 — CID 135518148

IUPAC6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(CC)n1ncc2c(=O)[nH]c(CC3CCCO3)nc21
InChIInChI=1S/C15H22N4O2/c1-3-10(4-2)19-14-12(9-16-19)15(20)18-13(17-14)8-11-6-5-7-21-11/h9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyKILDDMXIOJDMEM-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.20
Rot. Bonds5

About 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135518148) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135518148
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(CC)n1ncc2c(=O)[nH]c(CC3CCCO3)nc21
InChIInChI=1S/C15H22N4O2/c1-3-10(4-2)19-14-12(9-16-19)15(20)18-13(17-14)8-11-6-5-7-21-11/h9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyKILDDMXIOJDMEM-UHFFFAOYSA-N
XLogP2.20
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 142874925
2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964507
1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
4-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730225
4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136964515
2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 86714375
6-[3-fluoro-4-(oxolan-2-ylmethylamino)anilino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167870981
8-(oxolan-2-ylmethyl)-7H-purine
CID 114402512
5-(2-fluorophenyl)-4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 79435153
3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 135875296
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135495111

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135518148) is 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(CC)n1ncc2c(=O)[nH]c(CC3CCCO3)nc21.
What is the InChIKey of 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KILDDMXIOJDMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-10(4-2)19-14-12(9-16-19)15(20)18-13(17-14)8-11-6-5-7-21-11/h9-11H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135518148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).