(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione

C16H14F2N4O3 — CID 124624577

IUPAC(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cnccn2)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C16H14F2N4O3/c1-16(13-7-19-4-5-20-13)14(24)22(15(25)21-16)8-12(23)10-3-2-9(17)6-11(10)18/h2-7,12,23H,8H2,1H3,(H,21,25)/t12-,16-/m1/s1
InChIKeyPTSXLAAGVVVBLC-MLGOLLRUSA-N
MW348.31 g/mol
LogP1.26
Rot. Bonds4

About (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione

(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione (PubChem CID 124624577) has the molecular formula C16H14F2N4O3 and a molecular weight of 348.31 g/mol. Its IUPAC name is (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
PubChem CID124624577
Molecular FormulaC16H14F2N4O3
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cnccn2)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C16H14F2N4O3/c1-16(13-7-19-4-5-20-13)14(24)22(15(25)21-16)8-12(23)10-3-2-9(17)6-11(10)18/h2-7,12,23H,8H2,1H3,(H,21,25)/t12-,16-/m1/s1
InChIKeyPTSXLAAGVVVBLC-MLGOLLRUSA-N
XLogP1.26
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 155531209
(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389748
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385595
(5S)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385593
(5R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione
CID 94385462
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one
CID 110026772
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385394
3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 167933660
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 51106602
3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 32519562

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione (CID 124624577) is (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione is C[C@]1(c2cnccn2)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The InChIKey is PTSXLAAGVVVBLC-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H14F2N4O3/c1-16(13-7-19-4-5-20-13)14(24)22(15(25)21-16)8-12(23)10-3-2-9(17)6-11(10)18/h2-7,12,23H,8H2,1H3,(H,21,25)/t12-,16-/m1/s1.
What are the key properties of (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione has a molecular weight of 348.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 124624577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).