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

C11H9ClN2O2 — CID 10105551

IUPAC5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Cc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-1-7(2-4-9)5-8-6-13-11(16)14-10(8)15/h1-4,6H,5H2,(H2,13,14,15,16)
InChIKeyZAUQWZBGCKEBOG-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.31
Rot. Bonds2

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

5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 10105551) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID10105551
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Cc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-1-7(2-4-9)5-8-6-13-11(16)14-10(8)15/h1-4,6H,5H2,(H2,13,14,15,16)
InChIKeyZAUQWZBGCKEBOG-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

5-Benzyluracil
CID 236212
6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025748
5-benzyl-6-chloropyrimidine-2,4(1H,3H)-dione
CID 23648513
5-Phenyluracil
CID 287110
5-(3-Chloro-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dione
CID 10244911
5-(4-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426783
5-benzyl-6-(4-(4-chlorophenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426792
N-(4-chlorobenzoyl)piperidine-1-carboxamide
CID 977286
4-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)benzamide
CID 2148478
6-Amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
CID 2373777
6-[2-(3-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025753
6-[2-(2-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025756

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 10105551) is 5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(Cc2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZAUQWZBGCKEBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-3-1-7(2-4-9)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-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
5-[(4-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-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10105551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).