5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C13H11ClN2O4 — CID 657843

IUPAC5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(=O)c2ccccc2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C13H11ClN2O4/c1-15-11(18)9(12(19)16(2)13(15)20)10(17)7-5-3-4-6-8(7)14/h3-6,18H,1-2H3
InChIKeyAPAWAXWETVCYIK-UHFFFAOYSA-N
MW294.69 g/mol
LogP0.67
Rot. Bonds2

About 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 657843) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID657843
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(=O)c2ccccc2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C13H11ClN2O4/c1-15-11(18)9(12(19)16(2)13(15)20)10(17)7-5-3-4-6-8(7)14/h3-6,18H,1-2H3
InChIKeyAPAWAXWETVCYIK-UHFFFAOYSA-N
XLogP0.67
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 657843) is 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C(=O)c2ccccc2Cl)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is APAWAXWETVCYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-15-11(18)9(12(19)16(2)13(15)20)10(17)7-5-3-4-6-8(7)14/h3-6,18H,1-2H3.
What are the key properties of 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 294.69 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 657843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).