3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C6H5F3N2O3 — CID 152812081

IUPAC3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(O)c1=O
InChIInChI=1S/C6H5F3N2O3/c1-10-3(6(7,8)9)2-4(12)11(14)5(10)13/h2,14H,1H3
InChIKeySRJCBMCWJUEHIP-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.20
Rot. Bonds

About 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 152812081) has the molecular formula C6H5F3N2O3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID152812081
Molecular FormulaC6H5F3N2O3
Molecular Weight210.11 g/mol
Exact Mass210.03
IUPAC Name3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(O)c1=O
InChIInChI=1S/C6H5F3N2O3/c1-10-3(6(7,8)9)2-4(12)11(14)5(10)13/h2,14H,1H3
InChIKeySRJCBMCWJUEHIP-UHFFFAOYSA-N
XLogP-0.20
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 142226617
1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11172400
3-ethoxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 162575860
3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 174383286
3-(4-chloro-3-propanoylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 19009633
3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 134125670
3-(3-acetyl-4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 19009637
3-(5-amino-2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18365916
[2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonic acid
CID 139891634
3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 15390075
1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one
CID 163461061
3-(6-chloro-3-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 134123749

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 152812081) is 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(O)c1=O.
What is the InChIKey of 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is SRJCBMCWJUEHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O3/c1-10-3(6(7,8)9)2-4(12)11(14)5(10)13/h2,14H,1H3.
What are the key properties of 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 210.11 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 152812081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).