5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione

C18H20N6O2 — CID 56717771

IUPAC5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccn2)(C2CCNCC2)C(=O)N1Cc1ncccn1
InChIInChI=1S/C18H20N6O2/c25-16-18(13-5-10-19-11-6-13,14-4-1-2-7-20-14)23-17(26)24(16)12-15-21-8-3-9-22-15/h1-4,7-9,13,19H,5-6,10-12H2,(H,23,26)
InChIKeyDRMNCIWHSTUMAW-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.82
Rot. Bonds4

About 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione

5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 56717771) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID56717771
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccn2)(C2CCNCC2)C(=O)N1Cc1ncccn1
InChIInChI=1S/C18H20N6O2/c25-16-18(13-5-10-19-11-6-13,14-4-1-2-7-20-14)23-17(26)24(16)12-15-21-8-3-9-22-15/h1-4,7-9,13,19H,5-6,10-12H2,(H,23,26)
InChIKeyDRMNCIWHSTUMAW-UHFFFAOYSA-N
XLogP0.82
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione (CID 56717771) is 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione is O=C1NC(c2ccccn2)(C2CCNCC2)C(=O)N1Cc1ncccn1.
What is the InChIKey of 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is DRMNCIWHSTUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-16-18(13-5-10-19-11-6-13,14-4-1-2-7-20-14)23-17(26)24(16)12-15-21-8-3-9-22-15/h1-4,7-9,13,19H,5-6,10-12H2,(H,23,26).
What are the key properties of 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione?
5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 352.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56717771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).