2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol

C9H12N4O2 — CID 178106517

IUPAC2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol
SMILESCC(C)(O)COc1ncnc2[nH]ncc12
InChIInChI=1S/C9H12N4O2/c1-9(2,14)4-15-8-6-3-12-13-7(6)10-5-11-8/h3,5,14H,4H2,1-2H3,(H,10,11,12,13)
InChIKeyWSNZQVVPPZMHQG-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.50
Rot. Bonds3

About 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol

2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol (PubChem CID 178106517) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol
PubChem CID178106517
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol
SMILESCC(C)(O)COc1ncnc2[nH]ncc12
InChIInChI=1S/C9H12N4O2/c1-9(2,14)4-15-8-6-3-12-13-7(6)10-5-11-8/h3,5,14H,4H2,1-2H3,(H,10,11,12,13)
InChIKeyWSNZQVVPPZMHQG-UHFFFAOYSA-N
XLogP0.50
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol (CID 178106517) is 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol is CC(C)(O)COc1ncnc2[nH]ncc12.
What is the InChIKey of 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol?
The InChIKey is WSNZQVVPPZMHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-9(2,14)4-15-8-6-3-12-13-7(6)10-5-11-8/h3,5,14H,4H2,1-2H3,(H,10,11,12,13).
What are the key properties of 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol?
2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol has a molecular weight of 208.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)propan-2-ol is sourced from PubChem (CID 178106517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).