3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide

C11H16N6O — CID 133416677

IUPAC3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide
SMILESCCC(C)C(Nc1ncnc2[nH]ncc12)C(N)=O
InChIInChI=1S/C11H16N6O/c1-3-6(2)8(9(12)18)16-10-7-4-15-17-11(7)14-5-13-10/h4-6,8H,3H2,1-2H3,(H2,12,18)(H2,13,14,15,16,17)
InChIKeyIZTPOLNNTFBQTA-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.66
Rot. Bonds5

About 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide

3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide (PubChem CID 133416677) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide.

Molecular Properties

Compound Name3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide
PubChem CID133416677
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide
SMILESCCC(C)C(Nc1ncnc2[nH]ncc12)C(N)=O
InChIInChI=1S/C11H16N6O/c1-3-6(2)8(9(12)18)16-10-7-4-15-17-11(7)14-5-13-10/h4-6,8H,3H2,1-2H3,(H2,12,18)(H2,13,14,15,16,17)
InChIKeyIZTPOLNNTFBQTA-UHFFFAOYSA-N
XLogP0.66
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide?
The IUPAC name of 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide (CID 133416677) is 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide.
What is the SMILES notation for 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide?
The canonical SMILES for 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide is CCC(C)C(Nc1ncnc2[nH]ncc12)C(N)=O.
What is the InChIKey of 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide?
The InChIKey is IZTPOLNNTFBQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-6(2)8(9(12)18)16-10-7-4-15-17-11(7)14-5-13-10/h4-6,8H,3H2,1-2H3,(H2,12,18)(H2,13,14,15,16,17).
What are the key properties of 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide?
3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide has a molecular weight of 248.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide is sourced from PubChem (CID 133416677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).