5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one

C10H12FN3O — CID 134574022

IUPAC5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)n1cc(F)c2c(=O)n(C)cnc21
InChIInChI=1S/C10H12FN3O/c1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15/h4-6H,1-3H3
InChIKeyRTWXPLFUWDMSTG-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.46
Rot. Bonds1

About 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one

5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 134574022) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID134574022
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)n1cc(F)c2c(=O)n(C)cnc21
InChIInChI=1S/C10H12FN3O/c1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15/h4-6H,1-3H3
InChIKeyRTWXPLFUWDMSTG-UHFFFAOYSA-N
XLogP1.46
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one (CID 134574022) is 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one is CC(C)n1cc(F)c2c(=O)n(C)cnc21.
What is the InChIKey of 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is RTWXPLFUWDMSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15/h4-6H,1-3H3.
What are the key properties of 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one?
5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 209.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 134574022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).