2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C9H12FN3O — CID 172576527

IUPAC2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CNC2
InChIInChI=1S/C9H12FN3O/c1-5(2)14-8-6-3-11-4-7(6)12-9(10)13-8/h5,11H,3-4H2,1-2H3
InChIKeyQGMZNRALBTVKBD-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.01
Rot. Bonds2

About 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 172576527) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID172576527
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CNC2
InChIInChI=1S/C9H12FN3O/c1-5(2)14-8-6-3-11-4-7(6)12-9(10)13-8/h5,11H,3-4H2,1-2H3
InChIKeyQGMZNRALBTVKBD-UHFFFAOYSA-N
XLogP1.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 172576527) is 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CC(C)Oc1nc(F)nc2c1CNC2.
What is the InChIKey of 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is QGMZNRALBTVKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-5(2)14-8-6-3-11-4-7(6)12-9(10)13-8/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 197.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 172576527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).