6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione

C15H18N2O3 — CID 115945962

IUPAC6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
SMILESCC(C)C(C)n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-9(2)10(3)17-14(19)12(13(18)16-15(17)20)11-7-5-4-6-8-11/h4-10,19H,1-3H3,(H,16,18,20)
InChIKeyFSLRBAMPLUTHJI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.13
Rot. Bonds3

About 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione

6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione (PubChem CID 115945962) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
PubChem CID115945962
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
SMILESCC(C)C(C)n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-9(2)10(3)17-14(19)12(13(18)16-15(17)20)11-7-5-4-6-8-11/h4-10,19H,1-3H3,(H,16,18,20)
InChIKeyFSLRBAMPLUTHJI-UHFFFAOYSA-N
XLogP2.13
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947840
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947359
6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione
CID 115946369
6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione
CID 115948498
5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
CID 115946316
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115946756
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
CID 91177320

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione (CID 115945962) is 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione is CC(C)C(C)n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione?
The InChIKey is FSLRBAMPLUTHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)10(3)17-14(19)12(13(18)16-15(17)20)11-7-5-4-6-8-11/h4-10,19H,1-3H3,(H,16,18,20).
What are the key properties of 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione?
6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 115945962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).