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

C7H8FN3O — CID 172576511

IUPAC2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(F)nc2c1CNC2
InChIInChI=1S/C7H8FN3O/c1-12-6-4-2-9-3-5(4)10-7(8)11-6/h9H,2-3H2,1H3
InChIKeyVCIPKAMIXLOOOI-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.23
Rot. Bonds1

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

2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 172576511) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID172576511
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(F)nc2c1CNC2
InChIInChI=1S/C7H8FN3O/c1-12-6-4-2-9-3-5(4)10-7(8)11-6/h9H,2-3H2,1H3
InChIKeyVCIPKAMIXLOOOI-UHFFFAOYSA-N
XLogP0.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 172576511) is 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1nc(F)nc2c1CNC2.
What is the InChIKey of 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is VCIPKAMIXLOOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c1-12-6-4-2-9-3-5(4)10-7(8)11-6/h9H,2-3H2,1H3.
What are the key properties of 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 169.16 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 172576511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).