1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione

C13H14N2O3 — CID 102016797

IUPAC1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@H]([C@H](O)c1ccccc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-9(12(17)10-5-3-2-4-6-10)15-8-7-11(16)14-13(15)18/h2-9,12,17H,1H3,(H,14,16,18)/t9-,12-/m0/s1
InChIKeyMYOPKBRKUVSGLT-CABZTGNLSA-N
MW246.27 g/mol
LogP0.83
Rot. Bonds3

About 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione

1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione (PubChem CID 102016797) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
PubChem CID102016797
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@H]([C@H](O)c1ccccc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-9(12(17)10-5-3-2-4-6-10)15-8-7-11(16)14-13(15)18/h2-9,12,17H,1H3,(H,14,16,18)/t9-,12-/m0/s1
InChIKeyMYOPKBRKUVSGLT-CABZTGNLSA-N
XLogP0.83
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione
CID 10949247
1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
CID 66841272
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
CID 648586
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 7642095
1-[2-[(3-methyl-2-phenylbutyl)amino]ethyl]pyrimidine-2,4-dione
CID 154769752
1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione
CID 142399923
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione (CID 102016797) is 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione is C[C@@H]([C@H](O)c1ccccc1)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione?
The InChIKey is MYOPKBRKUVSGLT-CABZTGNLSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(12(17)10-5-3-2-4-6-10)15-8-7-11(16)14-13(15)18/h2-9,12,17H,1H3,(H,14,16,18)/t9-,12-/m0/s1.
What are the key properties of 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione?
1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 102016797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).