(5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione

C17H20N4O4 — CID 164639632

IUPAC(5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ncc(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c(C)n1
InChIInChI=1S/C17H20N4O4/c1-9-6-13(11(3)25-9)17(4)14(22)21(16(23)20-17)8-12-7-18-15(24-5)19-10(12)2/h6-7H,8H2,1-5H3,(H,20,23)/t17-/m0/s1
InChIKeyZQSUXCQCWUZZBZ-KRWDZBQOSA-N
MW344.37 g/mol
LogP1.97
Rot. Bonds4

About (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 164639632) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID164639632
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ncc(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c(C)n1
InChIInChI=1S/C17H20N4O4/c1-9-6-13(11(3)25-9)17(4)14(22)21(16(23)20-17)8-12-7-18-15(24-5)19-10(12)2/h6-7H,8H2,1-5H3,(H,20,23)/t17-/m0/s1
InChIKeyZQSUXCQCWUZZBZ-KRWDZBQOSA-N
XLogP1.97
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 164639632) is (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione is COc1ncc(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c(C)n1.
What is the InChIKey of (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZQSUXCQCWUZZBZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-9-6-13(11(3)25-9)17(4)14(22)21(16(23)20-17)8-12-7-18-15(24-5)19-10(12)2/h6-7H,8H2,1-5H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,5-dimethylfuran-3-yl)-3-[(2-methoxy-4-methylpyrimidin-5-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 164639632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).