5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione

C11H11N3O3 — CID 909874

IUPAC5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione
SMILESNc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)
InChIKeyHTIBHRPLOZXHDY-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.13
Rot. Bonds2

About 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione

5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 909874) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione
PubChem CID909874
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione
SMILESNc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)
InChIKeyHTIBHRPLOZXHDY-UHFFFAOYSA-N
XLogP-0.13
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione (CID 909874) is 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione is Nc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is HTIBHRPLOZXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17).
What are the key properties of 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione?
5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 909874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).