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

C10H12FN3O — CID 122543788

IUPAC6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1c(F)[nH]c2nc(=O)n(C(C)C)cc12
InChIInChI=1S/C10H12FN3O/c1-5(2)14-4-7-6(3)8(11)12-9(7)13-10(14)15/h4-5H,1-3H3,(H,12,13,15)
InChIKeyMGUMVOKIPXCYCX-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.75
Rot. Bonds1

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

6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 122543788) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID122543788
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1c(F)[nH]c2nc(=O)n(C(C)C)cc12
InChIInChI=1S/C10H12FN3O/c1-5(2)14-4-7-6(3)8(11)12-9(7)13-10(14)15/h4-5H,1-3H3,(H,12,13,15)
InChIKeyMGUMVOKIPXCYCX-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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Related Compounds

5,6-difluoro-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 122543789
5-fluoro-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 122543623
5-ethyl-4-(methylamino)-1-propan-2-ylpyrimidin-2-one
CID 164872350
4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one
CID 167120999
5-methyl-1-propan-2-ylpyrimidin-2-one
CID 58336934
5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 175852243
6-fluoro-3-methyl-8H-pteridine-2,7-dione
CID 118005417
4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one
CID 165472389
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one
CID 118067941
3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656998
3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 118005067
2-oxo-1-propan-2-yl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid
CID 137017253

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 122543788) is 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is Cc1c(F)[nH]c2nc(=O)n(C(C)C)cc12.
What is the InChIKey of 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is MGUMVOKIPXCYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-5(2)14-4-7-6(3)8(11)12-9(7)13-10(14)15/h4-5H,1-3H3,(H,12,13,15).
What are the key properties of 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
6-fluoro-5-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 6-fluoro-5-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 122543788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).