1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H23N5O — CID 137263202

IUPAC1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1C
InChIInChI=1S/C15H23N5O/c1-9-6-7-19(10(9)2)14-17-12-11(13(21)18-14)8-16-20(12)15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,18,21)
InChIKeyMLIJJSIWYMVMEJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.11
Rot. Bonds1

About 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137263202) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137263202
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1C
InChIInChI=1S/C15H23N5O/c1-9-6-7-19(10(9)2)14-17-12-11(13(21)18-14)8-16-20(12)15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,18,21)
InChIKeyMLIJJSIWYMVMEJ-UHFFFAOYSA-N
XLogP2.11
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137263202) is 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1C.
What is the InChIKey of 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MLIJJSIWYMVMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9-6-7-19(10(9)2)14-17-12-11(13(21)18-14)8-16-20(12)15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,18,21).
What are the key properties of 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137263202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).