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

C11H12N6O — CID 86808985

IUPAC1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(CNc2ncnc3c2cnn3C)on1
InChIInChI=1S/C11H12N6O/c1-7-3-8(18-16-7)4-12-10-9-5-15-17(2)11(9)14-6-13-10/h3,5-6H,4H2,1-2H3,(H,12,13,14)
InChIKeyIRSYTMPFDCZNCZ-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.27
Rot. Bonds3

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

1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86808985) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86808985
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(CNc2ncnc3c2cnn3C)on1
InChIInChI=1S/C11H12N6O/c1-7-3-8(18-16-7)4-12-10-9-5-15-17(2)11(9)14-6-13-10/h3,5-6H,4H2,1-2H3,(H,12,13,14)
InChIKeyIRSYTMPFDCZNCZ-UHFFFAOYSA-N
XLogP1.27
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 86808985) is 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(CNc2ncnc3c2cnn3C)on1.
What is the InChIKey of 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IRSYTMPFDCZNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7-3-8(18-16-7)4-12-10-9-5-15-17(2)11(9)14-6-13-10/h3,5-6H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86808985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).