(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione

C9H10N4O2 — CID 175783183

IUPAC(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESNC[C@@]1(c2cccnc2)NC(=O)NC1=O
InChIInChI=1S/C9H10N4O2/c10-5-9(6-2-1-3-11-4-6)7(14)12-8(15)13-9/h1-4H,5,10H2,(H2,12,13,14,15)/t9-/m0/s1
InChIKeyOTAGZDLFOGVTKA-VIFPVBQESA-N
MW206.21 g/mol
LogP-0.93
Rot. Bonds2

About (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione

(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 175783183) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID175783183
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESNC[C@@]1(c2cccnc2)NC(=O)NC1=O
InChIInChI=1S/C9H10N4O2/c10-5-9(6-2-1-3-11-4-6)7(14)12-8(15)13-9/h1-4H,5,10H2,(H2,12,13,14,15)/t9-/m0/s1
InChIKeyOTAGZDLFOGVTKA-VIFPVBQESA-N
XLogP-0.93
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
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 (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione (CID 175783183) is (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione is NC[C@@]1(c2cccnc2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is OTAGZDLFOGVTKA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10N4O2/c10-5-9(6-2-1-3-11-4-6)7(14)12-8(15)13-9/h1-4H,5,10H2,(H2,12,13,14,15)/t9-/m0/s1.
What are the key properties of (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 206.21 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 175783183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).