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

C11H10N2O3 — CID 130005673

IUPAC1-benzyl-5-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)cc1O
InChIInChI=1S/C11H10N2O3/c14-9-7-13(11(16)12-10(9)15)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,12,15,16)
InChIKeyFMTCMDXAWZMUEK-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.29
Rot. Bonds2

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

1-benzyl-5-hydroxypyrimidine-2,4-dione (PubChem CID 130005673) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-benzyl-5-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-hydroxypyrimidine-2,4-dione
PubChem CID130005673
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-benzyl-5-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)cc1O
InChIInChI=1S/C11H10N2O3/c14-9-7-13(11(16)12-10(9)15)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,12,15,16)
InChIKeyFMTCMDXAWZMUEK-UHFFFAOYSA-N
XLogP0.29
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-hydroxypyrimidine-2,4-dione (CID 130005673) is 1-benzyl-5-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)cc1O.
What is the InChIKey of 1-benzyl-5-hydroxypyrimidine-2,4-dione?
The InChIKey is FMTCMDXAWZMUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-9-7-13(11(16)12-10(9)15)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,12,15,16).
What are the key properties of 1-benzyl-5-hydroxypyrimidine-2,4-dione?
1-benzyl-5-hydroxypyrimidine-2,4-dione has a molecular weight of 218.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 130005673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).