6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione

C11H7Cl3N2O3 — CID 112599157

IUPAC6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C11H7Cl3N2O3/c1-4-9(17)15-11(19)16(10(4)18)8-6(13)2-5(12)3-7(8)14/h2-3,18H,1H3,(H,15,17,19)
InChIKeySYDVUCCGKGKGFH-UHFFFAOYSA-N
MW321.55 g/mol
LogP2.50
Rot. Bonds1

About 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione

6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione (PubChem CID 112599157) has the molecular formula C11H7Cl3N2O3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
PubChem CID112599157
Molecular FormulaC11H7Cl3N2O3
Molecular Weight321.55 g/mol
Exact Mass319.95
IUPAC Name6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C11H7Cl3N2O3/c1-4-9(17)15-11(19)16(10(4)18)8-6(13)2-5(12)3-7(8)14/h2-3,18H,1H3,(H,15,17,19)
InChIKeySYDVUCCGKGKGFH-UHFFFAOYSA-N
XLogP2.50
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
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
1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598854
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
6-hydroxy-5-methyl-1-naphthalen-2-ylpyrimidine-2,4-dione
CID 115947092
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
1-[3-(dimethylamino)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112601410
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione (CID 112599157) is 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione is Cc1c(O)n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione?
The InChIKey is SYDVUCCGKGKGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O3/c1-4-9(17)15-11(19)16(10(4)18)8-6(13)2-5(12)3-7(8)14/h2-3,18H,1H3,(H,15,17,19).
What are the key properties of 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione has a molecular weight of 321.55 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).