5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one

C9H10FN3O — CID 137029356

IUPAC5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCC(C)n1cc2c(F)c[nH]c2nc1=O
InChIInChI=1S/C9H10FN3O/c1-5(2)13-4-6-7(10)3-11-8(6)12-9(13)14/h3-5H,1-2H3,(H,11,12,14)
InChIKeyNVCSSIXYWRWOPH-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.44
Rot. Bonds1

About 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one

5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 137029356) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID137029356
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCC(C)n1cc2c(F)c[nH]c2nc1=O
InChIInChI=1S/C9H10FN3O/c1-5(2)13-4-6-7(10)3-11-8(6)12-9(13)14/h3-5H,1-2H3,(H,11,12,14)
InChIKeyNVCSSIXYWRWOPH-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 137029356) is 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is CC(C)n1cc2c(F)c[nH]c2nc1=O.
What is the InChIKey of 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is NVCSSIXYWRWOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-5(2)13-4-6-7(10)3-11-8(6)12-9(13)14/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 195.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 137029356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).