N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H12N6O — CID 47077228

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc(C)c1CNc1ncnc2[nH]ncc12
InChIInChI=1S/C11H12N6O/c1-6-8(7(2)18-17-6)3-12-10-9-4-15-16-11(9)14-5-13-10/h4-5H,3H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyGGIFJHPIOQMPOF-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.57
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 47077228) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID47077228
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc(C)c1CNc1ncnc2[nH]ncc12
InChIInChI=1S/C11H12N6O/c1-6-8(7(2)18-17-6)3-12-10-9-4-15-16-11(9)14-5-13-10/h4-5H,3H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyGGIFJHPIOQMPOF-UHFFFAOYSA-N
XLogP1.57
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 47077228) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1noc(C)c1CNc1ncnc2[nH]ncc12.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GGIFJHPIOQMPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-6-8(7(2)18-17-6)3-12-10-9-4-15-16-11(9)14-5-13-10/h4-5H,3H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 47077228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).