2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C8H10FN3O — CID 141196255

IUPAC2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFCCOc1ncc2c(n1)CNC2
InChIInChI=1S/C8H10FN3O/c9-1-2-13-8-11-4-6-3-10-5-7(6)12-8/h4,10H,1-3,5H2
InChIKeyMKCOVWBYNPQIDN-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.43
Rot. Bonds3

About 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 141196255) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID141196255
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFCCOc1ncc2c(n1)CNC2
InChIInChI=1S/C8H10FN3O/c9-1-2-13-8-11-4-6-3-10-5-7(6)12-8/h4,10H,1-3,5H2
InChIKeyMKCOVWBYNPQIDN-UHFFFAOYSA-N
XLogP0.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 141196255) is 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is FCCOc1ncc2c(n1)CNC2.
What is the InChIKey of 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is MKCOVWBYNPQIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-1-2-13-8-11-4-6-3-10-5-7(6)12-8/h4,10H,1-3,5H2.
What are the key properties of 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 183.19 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 141196255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).