6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione

C13H14N2O3 — CID 91464890

IUPAC6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc(C(C)c2c(O)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H14N2O3/c1-7-4-3-5-9(6-7)8(2)10-11(16)14-13(18)15-12(10)17/h3-6,8H,1-2H3,(H3,14,15,16,17,18)
InChIKeyGVEBYTHHBNBTIA-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.23
Rot. Bonds2

About 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 91464890) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID91464890
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc(C(C)c2c(O)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H14N2O3/c1-7-4-3-5-9(6-7)8(2)10-11(16)14-13(18)15-12(10)17/h3-6,8H,1-2H3,(H3,14,15,16,17,18)
InChIKeyGVEBYTHHBNBTIA-UHFFFAOYSA-N
XLogP1.23
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one
CID 20541693
5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3623956
5-[chloro-(3-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61086586
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
CID 155931226
4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217017
4-hydroxy-3-[1-(3-methylphenyl)ethyl]-4a,5,6,7,8,8a-hexahydrochromen-2-one
CID 59928666
1,2-bis(3-methylphenyl)propan-1-one
CID 145487890
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione (CID 91464890) is 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione is Cc1cccc(C(C)c2c(O)[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GVEBYTHHBNBTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-4-3-5-9(6-7)8(2)10-11(16)14-13(18)15-12(10)17/h3-6,8H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91464890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).