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

C10H12FN3O — CID 122543796

IUPAC5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1[nH]c2nc(=O)n(C(C)C)cc2c1F
InChIInChI=1S/C10H12FN3O/c1-5(2)14-4-7-8(11)6(3)12-9(7)13-10(14)15/h4-5H,1-3H3,(H,12,13,15)
InChIKeyZVNHFFXGKIJKRW-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.75
Rot. Bonds1

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

5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 122543796) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID122543796
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1[nH]c2nc(=O)n(C(C)C)cc2c1F
InChIInChI=1S/C10H12FN3O/c1-5(2)14-4-7-8(11)6(3)12-9(7)13-10(14)15/h4-5H,1-3H3,(H,12,13,15)
InChIKeyZVNHFFXGKIJKRW-UHFFFAOYSA-N
XLogP1.75
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 122543796) is 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is Cc1[nH]c2nc(=O)n(C(C)C)cc2c1F.
What is the InChIKey of 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is ZVNHFFXGKIJKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-5(2)14-4-7-8(11)6(3)12-9(7)13-10(14)15/h4-5H,1-3H3,(H,12,13,15).
What are the key properties of 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 122543796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).