3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H12N6O — CID 126592165

IUPAC3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C12H12N6O/c1-18-12-9(11(13)14-5-15-12)10(16-18)7-4-8(19-17-7)6-2-3-6/h4-6H,2-3H2,1H3,(H2,13,14,15)
InChIKeyOXVYQVULGJDEAV-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.48
Rot. Bonds2

About 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592165) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592165
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C12H12N6O/c1-18-12-9(11(13)14-5-15-12)10(16-18)7-4-8(19-17-7)6-2-3-6/h4-6H,2-3H2,1H3,(H2,13,14,15)
InChIKeyOXVYQVULGJDEAV-UHFFFAOYSA-N
XLogP1.48
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126592165) is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OXVYQVULGJDEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-18-12-9(11(13)14-5-15-12)10(16-18)7-4-8(19-17-7)6-2-3-6/h4-6H,2-3H2,1H3,(H2,13,14,15).
What are the key properties of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 256.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).