4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one

C9H12N4O3 — CID 145372299

IUPAC4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one
SMILESCc1nccc(N2CC(O)(O)N(C)C2=O)n1
InChIInChI=1S/C9H12N4O3/c1-6-10-4-3-7(11-6)13-5-9(15,16)12(2)8(13)14/h3-4,15-16H,5H2,1-2H3
InChIKeyWRWJOEQNKXVDAV-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.70
Rot. Bonds1

About 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one

4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one (PubChem CID 145372299) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one
PubChem CID145372299
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one
SMILESCc1nccc(N2CC(O)(O)N(C)C2=O)n1
InChIInChI=1S/C9H12N4O3/c1-6-10-4-3-7(11-6)13-5-9(15,16)12(2)8(13)14/h3-4,15-16H,5H2,1-2H3
InChIKeyWRWJOEQNKXVDAV-UHFFFAOYSA-N
XLogP-0.70
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one?
The IUPAC name of 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one (CID 145372299) is 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one.
What is the SMILES notation for 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one?
The canonical SMILES for 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one is Cc1nccc(N2CC(O)(O)N(C)C2=O)n1.
What is the InChIKey of 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one?
The InChIKey is WRWJOEQNKXVDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6-10-4-3-7(11-6)13-5-9(15,16)12(2)8(13)14/h3-4,15-16H,5H2,1-2H3.
What are the key properties of 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one?
4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one has a molecular weight of 224.22 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 145372299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).