1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C12H11ClN2O4 — CID 112598854

IUPAC1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCOc1ccc(Cl)cc1-n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H11ClN2O4/c1-6-10(16)14-12(18)15(11(6)17)8-5-7(13)3-4-9(8)19-2/h3-5,17H,1-2H3,(H,14,16,18)
InChIKeyOQDIWCQIYZTMJY-UHFFFAOYSA-N
MW282.68 g/mol
LogP1.20
Rot. Bonds2

About 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112598854) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112598854
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCOc1ccc(Cl)cc1-n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H11ClN2O4/c1-6-10(16)14-12(18)15(11(6)17)8-5-7(13)3-4-9(8)19-2/h3-5,17H,1-2H3,(H,14,16,18)
InChIKeyOQDIWCQIYZTMJY-UHFFFAOYSA-N
XLogP1.20
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946125
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600514
6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599157
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
6-(5-chloro-2-methoxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4971517
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991
4-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 50983107
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112598854) is 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is COc1ccc(Cl)cc1-n1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is OQDIWCQIYZTMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c1-6-10(16)14-12(18)15(11(6)17)8-5-7(13)3-4-9(8)19-2/h3-5,17H,1-2H3,(H,14,16,18).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 282.68 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112598854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).