7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C7H4F3N3O — CID 169148809

IUPAC7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(C(F)(F)F)c[nH]c12
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)3-1-11-5-4(3)12-2-13-6(5)14/h1-2,11H,(H,12,13,14)
InChIKeyQCBMGDIZCJHUIH-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.27
Rot. Bonds

About 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 169148809) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID169148809
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(C(F)(F)F)c[nH]c12
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)3-1-11-5-4(3)12-2-13-6(5)14/h1-2,11H,(H,12,13,14)
InChIKeyQCBMGDIZCJHUIH-UHFFFAOYSA-N
XLogP1.27
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 169148809) is 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(C(F)(F)F)c[nH]c12.
What is the InChIKey of 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is QCBMGDIZCJHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)3-1-11-5-4(3)12-2-13-6(5)14/h1-2,11H,(H,12,13,14).
What are the key properties of 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 203.12 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 169148809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).