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

C7H4F3N3O — CID 90374937

IUPAC2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(C(F)(F)F)nc2N1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)6-11-2-3-1-4(14)12-5(3)13-6/h2H,1H2,(H,11,12,13,14)
InChIKeyLICNULFEHVVYPC-UHFFFAOYSA-N
MW203.12 g/mol
LogP0.99
Rot. Bonds

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

2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 90374937) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID90374937
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(C(F)(F)F)nc2N1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)6-11-2-3-1-4(14)12-5(3)13-6/h2H,1H2,(H,11,12,13,14)
InChIKeyLICNULFEHVVYPC-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 90374937) is 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2cnc(C(F)(F)F)nc2N1.
What is the InChIKey of 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is LICNULFEHVVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)6-11-2-3-1-4(14)12-5(3)13-6/h2H,1H2,(H,11,12,13,14).
What are the key properties of 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 203.12 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 90374937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).