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

C7H6FN3O — CID 137299763

IUPAC5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cc(F)c2c(=O)[nH]cnc21
InChIInChI=1S/C7H6FN3O/c1-11-2-4(8)5-6(11)9-3-10-7(5)12/h2-3H,1H3,(H,9,10,12)
InChIKeyYTPRYNAEUYVFQO-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.40
Rot. Bonds

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

5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137299763) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137299763
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cc(F)c2c(=O)[nH]cnc21
InChIInChI=1S/C7H6FN3O/c1-11-2-4(8)5-6(11)9-3-10-7(5)12/h2-3H,1H3,(H,9,10,12)
InChIKeyYTPRYNAEUYVFQO-UHFFFAOYSA-N
XLogP0.40
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 137299763) is 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cn1cc(F)c2c(=O)[nH]cnc21.
What is the InChIKey of 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YTPRYNAEUYVFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c1-11-2-4(8)5-6(11)9-3-10-7(5)12/h2-3H,1H3,(H,9,10,12).
What are the key properties of 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 167.14 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137299763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).