(5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione

C9H9N3O3 — CID 6991444

IUPAC(5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione
SMILESCN1C(=O)[C@H](O)N(c2cccnc2)C1=O
InChIInChI=1S/C9H9N3O3/c1-11-7(13)8(14)12(9(11)15)6-3-2-4-10-5-6/h2-5,8,14H,1H3/t8-/m0/s1
InChIKeyQCSZIZLRSZLIHK-QMMMGPOBSA-N
MW207.19 g/mol
LogP-0.20
Rot. Bonds1

About (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione

(5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 6991444) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID6991444
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name(5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione
SMILESCN1C(=O)[C@H](O)N(c2cccnc2)C1=O
InChIInChI=1S/C9H9N3O3/c1-11-7(13)8(14)12(9(11)15)6-3-2-4-10-5-6/h2-5,8,14H,1H3/t8-/m0/s1
InChIKeyQCSZIZLRSZLIHK-QMMMGPOBSA-N
XLogP-0.20
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione (CID 6991444) is (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione is CN1C(=O)[C@H](O)N(c2cccnc2)C1=O.
What is the InChIKey of (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is QCSZIZLRSZLIHK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-11-7(13)8(14)12(9(11)15)6-3-2-4-10-5-6/h2-5,8,14H,1H3/t8-/m0/s1.
What are the key properties of (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione?
(5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 207.19 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 6991444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).