5-benzyl-6-chloro-1H-pyrimidine-2,4-dione

C11H9ClN2O2 — CID 23648513

IUPAC5-benzyl-6-chloro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-9-8(10(15)14-11(16)13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15,16)
InChIKeyLWRITIARHSTBLU-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.31
Rot. Bonds2

About 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione

5-benzyl-6-chloro-1H-pyrimidine-2,4-dione (PubChem CID 23648513) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-6-chloro-1H-pyrimidine-2,4-dione
PubChem CID23648513
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-benzyl-6-chloro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-9-8(10(15)14-11(16)13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15,16)
InChIKeyLWRITIARHSTBLU-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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Related Compounds

Phenacemide
CID 4753
5-Benzyluracil
CID 236212
5-Benzyl-1,3-diazinane-2,4,6-trione
CID 260790
5-Phenyluracil
CID 287110
6-Chloro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648518
6-Chloro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648521
6-Fluoro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648527
6-Chloro-5-(3,5-dimethylphenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648519
6-Chloro-5-(naphthalen-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648520
6-Bromo-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648528
6-Methyl-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 13740570
6-Methoxy-1-(phenylacetyl)-2,4(1H,3H)-pyrimidinedione
CID 750201

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione (CID 23648513) is 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
The InChIKey is LWRITIARHSTBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-8(10(15)14-11(16)13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15,16).
What are the key properties of 5-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
5-benzyl-6-chloro-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-benzyl-6-chloro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).