3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione

C8H11N7O2 — CID 21091290

IUPAC3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione
SMILESNc1nc(N)nc(CCN2C(=O)CNC2=O)n1
InChIInChI=1S/C8H11N7O2/c9-6-12-4(13-7(10)14-6)1-2-15-5(16)3-11-8(15)17/h1-3H2,(H,11,17)(H4,9,10,12,13,14)
InChIKeyGAPSJLPKHHYILF-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.87
Rot. Bonds3

About 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione

3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 21091290) has the molecular formula C8H11N7O2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID21091290
Molecular FormulaC8H11N7O2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione
SMILESNc1nc(N)nc(CCN2C(=O)CNC2=O)n1
InChIInChI=1S/C8H11N7O2/c9-6-12-4(13-7(10)14-6)1-2-15-5(16)3-11-8(15)17/h1-3H2,(H,11,17)(H4,9,10,12,13,14)
InChIKeyGAPSJLPKHHYILF-UHFFFAOYSA-N
XLogP-1.87
TPSA140.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione (CID 21091290) is 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione is Nc1nc(N)nc(CCN2C(=O)CNC2=O)n1.
What is the InChIKey of 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is GAPSJLPKHHYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O2/c9-6-12-4(13-7(10)14-6)1-2-15-5(16)3-11-8(15)17/h1-3H2,(H,11,17)(H4,9,10,12,13,14).
What are the key properties of 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione?
3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 237.22 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 21091290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).