2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone

C11H14N6O — CID 18292167

IUPAC2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1ncnc2[nH]ncc12)N1CCCC1
InChIInChI=1S/C11H14N6O/c18-9(17-3-1-2-4-17)6-12-10-8-5-15-16-11(8)14-7-13-10/h5,7H,1-4,6H2,(H2,12,13,14,15,16)
InChIKeyDYKLYBDQQWXSRB-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.39
Rot. Bonds3

About 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone

2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 18292167) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone
PubChem CID18292167
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1ncnc2[nH]ncc12)N1CCCC1
InChIInChI=1S/C11H14N6O/c18-9(17-3-1-2-4-17)6-12-10-8-5-15-16-11(8)14-7-13-10/h5,7H,1-4,6H2,(H2,12,13,14,15,16)
InChIKeyDYKLYBDQQWXSRB-UHFFFAOYSA-N
XLogP0.39
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone (CID 18292167) is 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone is O=C(CNc1ncnc2[nH]ncc12)N1CCCC1.
What is the InChIKey of 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is DYKLYBDQQWXSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c18-9(17-3-1-2-4-17)6-12-10-8-5-15-16-11(8)14-7-13-10/h5,7H,1-4,6H2,(H2,12,13,14,15,16).
What are the key properties of 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone?
2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 246.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 18292167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).