4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione

C13H9F3N2O3 — CID 3411631

IUPAC4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1NC2=C(C(=O)OC2)C(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)7-3-1-2-6(4-7)10-9-8(5-21-11(9)19)17-12(20)18-10/h1-4,10H,5H2,(H2,17,18,20)
InChIKeyIECGNHZFVSNCRR-UHFFFAOYSA-N
MW298.22 g/mol
LogP1.87
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione

4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 3411631) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID3411631
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1NC2=C(C(=O)OC2)C(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)7-3-1-2-6(4-7)10-9-8(5-21-11(9)19)17-12(20)18-10/h1-4,10H,5H2,(H2,17,18,20)
InChIKeyIECGNHZFVSNCRR-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 102567371
4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 3230407
8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 44593161
4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 3467312
(4S)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185732
5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
CID 13092013
4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
CID 102125689
(4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 7715483
6-methyl-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 147171421
4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 77401770
(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (CID 3411631) is 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is O=C1NC2=C(C(=O)OC2)C(c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is IECGNHZFVSNCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-13(15,16)7-3-1-2-6(4-7)10-9-8(5-21-11(9)19)17-12(20)18-10/h1-4,10H,5H2,(H2,17,18,20).
What are the key properties of 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 298.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 3411631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).