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

C8H9FN4O — CID 137293212

IUPAC2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cc(F)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H9FN4O/c1-2-13-3-4(9)5-6(13)11-8(10)12-7(5)14/h3H,2H2,1H3,(H3,10,11,12,14)
InChIKeyXXOQARCKNIHRHR-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.47
Rot. Bonds1

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

2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137293212) has the molecular formula C8H9FN4O and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137293212
Molecular FormulaC8H9FN4O
Molecular Weight196.18 g/mol
Exact Mass196.08
IUPAC Name2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cc(F)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H9FN4O/c1-2-13-3-4(9)5-6(13)11-8(10)12-7(5)14/h3H,2H2,1H3,(H3,10,11,12,14)
InChIKeyXXOQARCKNIHRHR-UHFFFAOYSA-N
XLogP0.47
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 137293212) is 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one is CCn1cc(F)c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is XXOQARCKNIHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c1-2-13-3-4(9)5-6(13)11-8(10)12-7(5)14/h3H,2H2,1H3,(H3,10,11,12,14).
What are the key properties of 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 196.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-ethyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137293212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).