1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol

C15H18N6O2 — CID 126591918

IUPAC1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C15H18N6O2/c1-15(2,22)6-21-14-11(13(16)17-7-18-14)12(19-21)9-5-10(23-20-9)8-3-4-8/h5,7-8,22H,3-4,6H2,1-2H3,(H2,16,17,18)
InChIKeyNFDLSCQLHCRXKP-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.71
Rot. Bonds4

About 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol

1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol (PubChem CID 126591918) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
PubChem CID126591918
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C15H18N6O2/c1-15(2,22)6-21-14-11(13(16)17-7-18-14)12(19-21)9-5-10(23-20-9)8-3-4-8/h5,7-8,22H,3-4,6H2,1-2H3,(H2,16,17,18)
InChIKeyNFDLSCQLHCRXKP-UHFFFAOYSA-N
XLogP1.71
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol (CID 126591918) is 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21.
What is the InChIKey of 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is NFDLSCQLHCRXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-15(2,22)6-21-14-11(13(16)17-7-18-14)12(19-21)9-5-10(23-20-9)8-3-4-8/h5,7-8,22H,3-4,6H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 314.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 126591918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).