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

C14H16N2O3 — CID 112598911

IUPAC6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(-c2ccccc2C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-8(2)10-6-4-5-7-11(10)16-13(18)9(3)12(17)15-14(16)19/h4-8,18H,1-3H3,(H,15,17,19)
InChIKeySPKYQZVQMDJYNN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.66
Rot. Bonds2

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

6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione (PubChem CID 112598911) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
PubChem CID112598911
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(-c2ccccc2C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-8(2)10-6-4-5-7-11(10)16-13(18)9(3)12(17)15-14(16)19/h4-8,18H,1-3H3,(H,15,17,19)
InChIKeySPKYQZVQMDJYNN-UHFFFAOYSA-N
XLogP1.66
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
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-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
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-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598854
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115946946

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione (CID 112598911) is 6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione is Cc1c(O)n(-c2ccccc2C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione?
The InChIKey is SPKYQZVQMDJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(2)10-6-4-5-7-11(10)16-13(18)9(3)12(17)15-14(16)19/h4-8,18H,1-3H3,(H,15,17,19).
What are the key properties of 6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 1.66, 2 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-propan-2-ylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112598911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).