6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione

C12H12N2O3 — CID 7642095

IUPAC6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
SMILESC[C@H](c1ccccc1)n1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-8(9-5-3-2-4-6-9)14-11(16)7-10(15)13-12(14)17/h2-8,16H,1H3,(H,13,15,17)/t8-/m1/s1
InChIKeyQBVZEQCXHDDMIC-MRVPVSSYSA-N
MW232.24 g/mol
LogP0.85
Rot. Bonds2

About 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione

6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione (PubChem CID 7642095) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
PubChem CID7642095
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
SMILESC[C@H](c1ccccc1)n1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-8(9-5-3-2-4-6-9)14-11(16)7-10(15)13-12(14)17/h2-8,16H,1H3,(H,13,15,17)/t8-/m1/s1
InChIKeyQBVZEQCXHDDMIC-MRVPVSSYSA-N
XLogP0.85
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione (CID 7642095) is 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione is C[C@H](c1ccccc1)n1c(O)cc(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione?
The InChIKey is QBVZEQCXHDDMIC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(9-5-3-2-4-6-9)14-11(16)7-10(15)13-12(14)17/h2-8,16H,1H3,(H,13,15,17)/t8-/m1/s1.
What are the key properties of 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione?
6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 7642095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).