7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one

C8H8FN3O — CID 137299780

IUPAC7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cc(F)c2c(=O)[nH]cnc21
InChIInChI=1S/C8H8FN3O/c1-2-12-3-5(9)6-7(12)10-4-11-8(6)13/h3-4H,2H2,1H3,(H,10,11,13)
InChIKeyVRGUBVVVVVOZKP-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.88
Rot. Bonds1

About 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137299780) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137299780
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cc(F)c2c(=O)[nH]cnc21
InChIInChI=1S/C8H8FN3O/c1-2-12-3-5(9)6-7(12)10-4-11-8(6)13/h3-4H,2H2,1H3,(H,10,11,13)
InChIKeyVRGUBVVVVVOZKP-UHFFFAOYSA-N
XLogP0.88
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 137299780) is 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one is CCn1cc(F)c2c(=O)[nH]cnc21.
What is the InChIKey of 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is VRGUBVVVVVOZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-2-12-3-5(9)6-7(12)10-4-11-8(6)13/h3-4H,2H2,1H3,(H,10,11,13).
What are the key properties of 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 181.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137299780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).