6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione

C8H7F3N2O3 — CID 106211142

IUPAC6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione
SMILESO=c1cc(O)n(C2(C(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)13-5(15)3-4(14)12-6(13)16/h3,15H,1-2H2,(H,12,14,16)
InChIKeyVZEWKSKKQIWHSH-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.29
Rot. Bonds1

About 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione

6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione (PubChem CID 106211142) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione
PubChem CID106211142
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione
SMILESO=c1cc(O)n(C2(C(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)13-5(15)3-4(14)12-6(13)16/h3,15H,1-2H2,(H,12,14,16)
InChIKeyVZEWKSKKQIWHSH-UHFFFAOYSA-N
XLogP0.29
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
CID 106210532
tert-butyl 6-hydroxy-2,4-dioxopyrimidine-1-carboxylate
CID 90876047
6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 7642095
6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione
CID 104963576
4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136949005
6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 113406530
6-hydroxy-1-morpholin-4-ylpyrimidine-2,4-dione
CID 112598166
2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide
CID 114175413
7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106215202
7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 114158728
2-(6-tert-butyl-2,4-dioxopyrimidin-1-yl)acetonitrile
CID 121206665
6-hydroxy-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
CID 34175357

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione (CID 106211142) is 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione is O=c1cc(O)n(C2(C(F)(F)F)CC2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione?
The InChIKey is VZEWKSKKQIWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)13-5(15)3-4(14)12-6(13)16/h3,15H,1-2H2,(H,12,14,16).
What are the key properties of 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione?
6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione has a molecular weight of 236.15 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106211142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).