5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione

C11H9ClN2O2 — CID 10354131

IUPAC5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Cc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-9-4-2-1-3-7(9)5-8-6-13-11(16)14-10(8)15/h1-4,6H,5H2,(H2,13,14,15,16)
InChIKeyCPQAZTSRWAQRAQ-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.31
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione

5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 10354131) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID10354131
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Cc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-9-4-2-1-3-7(9)5-8-6-13-11(16)14-10(8)15/h1-4,6H,5H2,(H2,13,14,15,16)
InChIKeyCPQAZTSRWAQRAQ-UHFFFAOYSA-N
XLogP1.31
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 10354131) is 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(Cc2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CPQAZTSRWAQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-4-2-1-3-7(9)5-8-6-13-11(16)14-10(8)15/h1-4,6H,5H2,(H2,13,14,15,16).
What are the key properties of 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 236.66 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10354131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).