3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

C9H10FN3O — CID 118005068

IUPAC3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCCn1cc2c(F)c(C)[nH]c2nc1=O
InChIInChI=1S/C9H10FN3O/c1-3-13-4-6-7(10)5(2)11-8(6)12-9(13)14/h4H,3H2,1-2H3,(H,11,12,14)
InChIKeyVCWCXYJKRQZCOU-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.19
Rot. Bonds1

About 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 118005068) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID118005068
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCCn1cc2c(F)c(C)[nH]c2nc1=O
InChIInChI=1S/C9H10FN3O/c1-3-13-4-6-7(10)5(2)11-8(6)12-9(13)14/h4H,3H2,1-2H3,(H,11,12,14)
InChIKeyVCWCXYJKRQZCOU-UHFFFAOYSA-N
XLogP1.19
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 118005068) is 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is CCn1cc2c(F)c(C)[nH]c2nc1=O.
What is the InChIKey of 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is VCWCXYJKRQZCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-3-13-4-6-7(10)5(2)11-8(6)12-9(13)14/h4H,3H2,1-2H3,(H,11,12,14).
What are the key properties of 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 195.20 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 118005068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).