1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione

C7H7F3N2O4 — CID 156864838

IUPAC1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(O)O)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O4/c8-7(9,10)3-1-12(2-4(13)14)6(16)11-5(3)15/h1,4,13-14H,2H2,(H,11,15,16)
InChIKeyRMOQXUGAEGTEPH-UHFFFAOYSA-N
MW240.14 g/mol
LogP-1.13
Rot. Bonds2

About 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione

1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 156864838) has the molecular formula C7H7F3N2O4 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID156864838
Molecular FormulaC7H7F3N2O4
Molecular Weight240.14 g/mol
Exact Mass240.04
IUPAC Name1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(O)O)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O4/c8-7(9,10)3-1-12(2-4(13)14)6(16)11-5(3)15/h1,4,13-14H,2H2,(H,11,15,16)
InChIKeyRMOQXUGAEGTEPH-UHFFFAOYSA-N
XLogP-1.13
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-Dioxo-5-(trifluoromethyl)-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 54344909
1-(3-Hydroxy-propyl)-5-trifluoromethyl-1H-pyrimidine-2,4-dione
CID 58994207
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107482660
N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 107483379
2-[2,4-Dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-2-fluoroacetic acid
CID 132515333
1-(2,2-Dihydroxyethyl)-5-methylpyrimidine-2,4-dione
CID 21591913
1-(2,2-Dihydroxyethyl)-5-methylpyrimidine-2,4-dione;ethane
CID 172340984

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 156864838) is 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC(O)O)cc1C(F)(F)F.
What is the InChIKey of 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is RMOQXUGAEGTEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O4/c8-7(9,10)3-1-12(2-4(13)14)6(16)11-5(3)15/h1,4,13-14H,2H2,(H,11,15,16).
What are the key properties of 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 240.14 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 156864838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).