3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione

C16H20N2O3 — CID 91334185

IUPAC3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
SMILESCC(c1ccccc1)n1c(O)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C16H20N2O3/c1-11(12-8-6-5-7-9-12)17-13(19)10-14(20)18(15(17)21)16(2,3)4/h5-11,19H,1-4H3
InChIKeyXNDFEPHHJNEAIB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds2

About 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione

3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione (PubChem CID 91334185) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
PubChem CID91334185
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
SMILESCC(c1ccccc1)n1c(O)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C16H20N2O3/c1-11(12-8-6-5-7-9-12)17-13(19)10-14(20)18(15(17)21)16(2,3)4/h5-11,19H,1-4H3
InChIKeyXNDFEPHHJNEAIB-UHFFFAOYSA-N
XLogP2.08
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 7642095
6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione
CID 91457237
4-hydroxy-6-methyl-1-(1-phenylethyl)pyridin-2-one
CID 152779627
2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1226046
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
CID 91177320
6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione
CID 12914074
6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one
CID 102356090
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione
CID 90489804
2-(1-phenylethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 57202782
4,5-dimethyl-1-[(1S)-1-phenylethyl]-3-propanoylimidazol-2-one
CID 122215398
1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione
CID 123775542

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione (CID 91334185) is 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione is CC(c1ccccc1)n1c(O)cc(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is XNDFEPHHJNEAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(12-8-6-5-7-9-12)17-13(19)10-14(20)18(15(17)21)16(2,3)4/h5-11,19H,1-4H3.
What are the key properties of 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione?
3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91334185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).