6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione

C13H11F3N4O3 — CID 5202051

IUPAC6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H11F3N4O3/c1-19-10(21)9(11(22)20(2)12(19)23)18-17-8-5-3-7(4-6-8)13(14,15)16/h3-6,21H,1-2H3/b18-17+
InChIKeyQHUCWSDJVBXCQN-ISLYRVAYSA-N
MW328.25 g/mol
LogP2.22
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione (PubChem CID 5202051) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione
PubChem CID5202051
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Name6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H11F3N4O3/c1-19-10(21)9(11(22)20(2)12(19)23)18-17-8-5-3-7(4-6-8)13(14,15)16/h3-6,21H,1-2H3/b18-17+
InChIKeyQHUCWSDJVBXCQN-ISLYRVAYSA-N
XLogP2.22
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione (CID 5202051) is 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione is Cn1c(O)c(/N=N/c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione?
The InChIKey is QHUCWSDJVBXCQN-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c1-19-10(21)9(11(22)20(2)12(19)23)18-17-8-5-3-7(4-6-8)13(14,15)16/h3-6,21H,1-2H3/b18-17+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione has a molecular weight of 328.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 5202051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).