5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C7H4F3N3O — CID 130297085

IUPAC5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Nc2ncncc2C1C(F)(F)F
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-3-1-11-2-12-5(3)13-6(4)14/h1-2,4H,(H,11,12,13,14)
InChIKeyINGNPHDWBQCLRY-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.07
Rot. Bonds

About 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 130297085) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID130297085
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Nc2ncncc2C1C(F)(F)F
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-3-1-11-2-12-5(3)13-6(4)14/h1-2,4H,(H,11,12,13,14)
InChIKeyINGNPHDWBQCLRY-UHFFFAOYSA-N
XLogP1.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 130297085) is 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Nc2ncncc2C1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is INGNPHDWBQCLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)4-3-1-11-2-12-5(3)13-6(4)14/h1-2,4H,(H,11,12,13,14).
What are the key properties of 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 203.12 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 130297085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).