2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate

C12H21N5O2 — CID 163589646

IUPAC2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate
SMILESCc1nc(C)nc(NCCOC(=O)C(C)(C)CN)n1
InChIInChI=1S/C12H21N5O2/c1-8-15-9(2)17-11(16-8)14-5-6-19-10(18)12(3,4)7-13/h5-7,13H2,1-4H3,(H,14,15,16,17)
InChIKeyGOLPDIPVPICFHS-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.43
Rot. Bonds6

About 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate

2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate (PubChem CID 163589646) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate
PubChem CID163589646
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate
SMILESCc1nc(C)nc(NCCOC(=O)C(C)(C)CN)n1
InChIInChI=1S/C12H21N5O2/c1-8-15-9(2)17-11(16-8)14-5-6-19-10(18)12(3,4)7-13/h5-7,13H2,1-4H3,(H,14,15,16,17)
InChIKeyGOLPDIPVPICFHS-UHFFFAOYSA-N
XLogP0.43
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate?
The IUPAC name of 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate (CID 163589646) is 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate?
The canonical SMILES for 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate is Cc1nc(C)nc(NCCOC(=O)C(C)(C)CN)n1.
What is the InChIKey of 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate?
The InChIKey is GOLPDIPVPICFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8-15-9(2)17-11(16-8)14-5-6-19-10(18)12(3,4)7-13/h5-7,13H2,1-4H3,(H,14,15,16,17).
What are the key properties of 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate?
2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate has a molecular weight of 267.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate is sourced from PubChem (CID 163589646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).