3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C14H22N8O2 — CID 121238066

IUPAC3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN1CCN(c2nc(N)nc(CN3C(=O)NC(C)(C)C3=O)n2)CC1
InChIInChI=1S/C14H22N8O2/c1-14(2)10(23)22(13(24)19-14)8-9-16-11(15)18-12(17-9)21-6-4-20(3)5-7-21/h4-8H2,1-3H3,(H,19,24)(H2,15,16,17,18)
InChIKeyMTEBWILPILYDAN-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.96
Rot. Bonds3

About 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 121238066) has the molecular formula C14H22N8O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID121238066
Molecular FormulaC14H22N8O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC Name3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN1CCN(c2nc(N)nc(CN3C(=O)NC(C)(C)C3=O)n2)CC1
InChIInChI=1S/C14H22N8O2/c1-14(2)10(23)22(13(24)19-14)8-9-16-11(15)18-12(17-9)21-6-4-20(3)5-7-21/h4-8H2,1-3H3,(H,19,24)(H2,15,16,17,18)
InChIKeyMTEBWILPILYDAN-UHFFFAOYSA-N
XLogP-0.96
TPSA120.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 121238066) is 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CN1CCN(c2nc(N)nc(CN3C(=O)NC(C)(C)C3=O)n2)CC1.
What is the InChIKey of 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MTEBWILPILYDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O2/c1-14(2)10(23)22(13(24)19-14)8-9-16-11(15)18-12(17-9)21-6-4-20(3)5-7-21/h4-8H2,1-3H3,(H,19,24)(H2,15,16,17,18).
What are the key properties of 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 121238066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).