1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one

C6H8F3N3O2 — CID 162602783

IUPAC1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one
SMILESCN1C(=O)C=C(C(F)(F)F)N(N)C1O
InChIInChI=1S/C6H8F3N3O2/c1-11-4(13)2-3(6(7,8)9)12(10)5(11)14/h2,5,14H,10H2,1H3
InChIKeyISVSREAZOVCNQY-UHFFFAOYSA-N
MW211.14 g/mol
LogP-0.64
Rot. Bonds

About 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one

1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one (PubChem CID 162602783) has the molecular formula C6H8F3N3O2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one.

Molecular Properties

Compound Name1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one
PubChem CID162602783
Molecular FormulaC6H8F3N3O2
Molecular Weight211.14 g/mol
Exact Mass211.06
IUPAC Name1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one
SMILESCN1C(=O)C=C(C(F)(F)F)N(N)C1O
InChIInChI=1S/C6H8F3N3O2/c1-11-4(13)2-3(6(7,8)9)12(10)5(11)14/h2,5,14H,10H2,1H3
InChIKeyISVSREAZOVCNQY-UHFFFAOYSA-N
XLogP-0.64
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1,3-dimethyl-6-(trifluoromethyl)-4H-pyrimidin-2-one
CID 162548687
5-[2-hydroxy-3-methyl-6-oxo-4-(trifluoromethyl)-2H-pyrimidin-1-yl]-2-methylbenzaldehyde
CID 162576297
3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 146290366
3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one
CID 149206156
(2S,3S)-2,3-dihydroxy-1-methyl-2,3-dihydropyridin-6-one
CID 11159377
(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 96998691
3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 142226617
methyl 5-[2,4-dihydroxy-1-methyl-6-(trifluoromethyl)-2,4-dihydropyrimidin-3-yl]-1,2-benzothiazole-3-carboxylate
CID 174422312
4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197377
dimethyl 1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2167221
methyl 3-[1-cyano-3-oxo-6-(trifluoromethyl)-1H-isoindol-2-yl]propanoate
CID 110449065
4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
CID 72726621

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one?
The IUPAC name of 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one (CID 162602783) is 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one.
What is the SMILES notation for 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one?
The canonical SMILES for 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one is CN1C(=O)C=C(C(F)(F)F)N(N)C1O.
What is the InChIKey of 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one?
The InChIKey is ISVSREAZOVCNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2/c1-11-4(13)2-3(6(7,8)9)12(10)5(11)14/h2,5,14H,10H2,1H3.
What are the key properties of 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one?
1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one has a molecular weight of 211.14 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-hydroxy-3-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one is sourced from PubChem (CID 162602783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).