5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H19N3O3 — CID 106953578

IUPAC5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(NCc2cn(C)c(=O)n(C)c2=O)c(C)cc1O
InChIInChI=1S/C15H19N3O3/c1-9-6-13(19)10(2)5-12(9)16-7-11-8-17(3)15(21)18(4)14(11)20/h5-6,8,16,19H,7H2,1-4H3
InChIKeyAEEGWDPFGRAQFP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.02
Rot. Bonds3

About 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 106953578) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID106953578
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(NCc2cn(C)c(=O)n(C)c2=O)c(C)cc1O
InChIInChI=1S/C15H19N3O3/c1-9-6-13(19)10(2)5-12(9)16-7-11-8-17(3)15(21)18(4)14(11)20/h5-6,8,16,19H,7H2,1-4H3
InChIKeyAEEGWDPFGRAQFP-UHFFFAOYSA-N
XLogP1.02
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 106953578) is 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cc(NCc2cn(C)c(=O)n(C)c2=O)c(C)cc1O.
What is the InChIKey of 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AEEGWDPFGRAQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-6-13(19)10(2)5-12(9)16-7-11-8-17(3)15(21)18(4)14(11)20/h5-6,8,16,19H,7H2,1-4H3.
What are the key properties of 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 106953578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).