1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione

C15H19N3O3 — CID 3314197

IUPAC1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione
SMILESCOCCNc1cc(=O)n(C)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-17-14(19)10-13(16-8-9-21-2)18(15(17)20)11-12-6-4-3-5-7-12/h3-7,10,16H,8-9,11H2,1-2H3
InChIKeyVYYSYVOEKABKLE-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.65
Rot. Bonds6

About 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione

1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione (PubChem CID 3314197) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione
PubChem CID3314197
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione
SMILESCOCCNc1cc(=O)n(C)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-17-14(19)10-13(16-8-9-21-2)18(15(17)20)11-12-6-4-3-5-7-12/h3-7,10,16H,8-9,11H2,1-2H3
InChIKeyVYYSYVOEKABKLE-UHFFFAOYSA-N
XLogP0.65
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione (CID 3314197) is 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione is COCCNc1cc(=O)n(C)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione?
The InChIKey is VYYSYVOEKABKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-14(19)10-13(16-8-9-21-2)18(15(17)20)11-12-6-4-3-5-7-12/h3-7,10,16H,8-9,11H2,1-2H3.
What are the key properties of 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione?
1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(2-methoxyethylamino)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3314197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).