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

C16H17N7O2 — CID 59410630

IUPAC2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChIInChI=1S/C16H17N7O2/c1-16(2,6-24)23-14-11(13(17)19-7-20-14)12(22-23)8-3-4-10-9(5-8)21-15(18)25-10/h3-5,7,24H,6H2,1-2H3,(H2,18,21)(H2,17,19,20)
InChIKeyHCSITEIUSFRJGV-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.53
Rot. Bonds3

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

2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol (PubChem CID 59410630) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol
PubChem CID59410630
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChIInChI=1S/C16H17N7O2/c1-16(2,6-24)23-14-11(13(17)19-7-20-14)12(22-23)8-3-4-10-9(5-8)21-15(18)25-10/h3-5,7,24H,6H2,1-2H3,(H2,18,21)(H2,17,19,20)
InChIKeyHCSITEIUSFRJGV-UHFFFAOYSA-N
XLogP1.53
TPSA141.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol (CID 59410630) is 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol is CC(C)(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21.
What is the InChIKey of 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol?
The InChIKey is HCSITEIUSFRJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-16(2,6-24)23-14-11(13(17)19-7-20-14)12(22-23)8-3-4-10-9(5-8)21-15(18)25-10/h3-5,7,24H,6H2,1-2H3,(H2,18,21)(H2,17,19,20).
What are the key properties of 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol?
2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol has a molecular weight of 339.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 59410630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).