5-amino-3-benzyl-1H-pyrimidine-2,4-dione

C11H11N3O2 — CID 15659209

IUPAC5-amino-3-benzyl-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C11H11N3O2/c12-9-6-13-11(16)14(10(9)15)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,16)
InChIKeyVPXOBSXFCFWVKN-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.17
Rot. Bonds2

About 5-amino-3-benzyl-1H-pyrimidine-2,4-dione

5-amino-3-benzyl-1H-pyrimidine-2,4-dione (PubChem CID 15659209) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-amino-3-benzyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-benzyl-1H-pyrimidine-2,4-dione
PubChem CID15659209
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-amino-3-benzyl-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C11H11N3O2/c12-9-6-13-11(16)14(10(9)15)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,16)
InChIKeyVPXOBSXFCFWVKN-UHFFFAOYSA-N
XLogP0.17
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-benzyl-1H-pyrimidine-2,4-dione (CID 15659209) is 5-amino-3-benzyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-benzyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-benzyl-1H-pyrimidine-2,4-dione is Nc1c[nH]c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 5-amino-3-benzyl-1H-pyrimidine-2,4-dione?
The InChIKey is VPXOBSXFCFWVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-9-6-13-11(16)14(10(9)15)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,16).
What are the key properties of 5-amino-3-benzyl-1H-pyrimidine-2,4-dione?
5-amino-3-benzyl-1H-pyrimidine-2,4-dione has a molecular weight of 217.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15659209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).