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

C10H15N7O2 — CID 22108669

IUPAC3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nc(N)nc(N)n2)C1=O
InChIInChI=1S/C10H15N7O2/c1-2-3-5-7(18)17(10(19)13-5)4-6-14-8(11)16-9(12)15-6/h5H,2-4H2,1H3,(H,13,19)(H4,11,12,14,15,16)
InChIKeyRAAPCEGQRZDBRT-UHFFFAOYSA-N
MW265.28 g/mol
LogP-0.74
Rot. Bonds4

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

3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 22108669) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID22108669
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nc(N)nc(N)n2)C1=O
InChIInChI=1S/C10H15N7O2/c1-2-3-5-7(18)17(10(19)13-5)4-6-14-8(11)16-9(12)15-6/h5H,2-4H2,1H3,(H,13,19)(H4,11,12,14,15,16)
InChIKeyRAAPCEGQRZDBRT-UHFFFAOYSA-N
XLogP-0.74
TPSA140.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.74
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-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione (CID 22108669) is 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2nc(N)nc(N)n2)C1=O.
What is the InChIKey of 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is RAAPCEGQRZDBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-2-3-5-7(18)17(10(19)13-5)4-6-14-8(11)16-9(12)15-6/h5H,2-4H2,1H3,(H,13,19)(H4,11,12,14,15,16).
What are the key properties of 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione?
3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 265.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 22108669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).