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

C10H15N7O2 — CID 21091289

IUPAC3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCc2nc(N)nc(N)n2)C1=O
InChIInChI=1S/C10H15N7O2/c1-10(2)6(18)17(9(19)16-10)4-3-5-13-7(11)15-8(12)14-5/h3-4H2,1-2H3,(H,16,19)(H4,11,12,13,14,15)
InChIKeyHBFDJCMQXIEZEK-UHFFFAOYSA-N
MW265.28 g/mol
LogP-1.09
Rot. Bonds3

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

3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 21091289) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID21091289
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCc2nc(N)nc(N)n2)C1=O
InChIInChI=1S/C10H15N7O2/c1-10(2)6(18)17(9(19)16-10)4-3-5-13-7(11)15-8(12)14-5/h3-4H2,1-2H3,(H,16,19)(H4,11,12,13,14,15)
InChIKeyHBFDJCMQXIEZEK-UHFFFAOYSA-N
XLogP-1.09
TPSA140.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-1.09
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]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 21091289) is 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCc2nc(N)nc(N)n2)C1=O.
What is the InChIKey of 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HBFDJCMQXIEZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-10(2)6(18)17(9(19)16-10)4-3-5-13-7(11)15-8(12)14-5/h3-4H2,1-2H3,(H,16,19)(H4,11,12,13,14,15).
What are the key properties of 3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 265.28 g/mol, XLogP of -1.09, 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]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 21091289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).