ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate

C12H20N6O3 — CID 80773658

IUPACethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N)nc(OC)n2)CC1
InChIInChI=1S/C12H20N6O3/c1-3-21-12(19)18-6-4-8(5-7-18)14-10-15-9(13)16-11(17-10)20-2/h8H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyAZYFRXPBJJCTTH-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.50
Rot. Bonds4

About ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 80773658) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID80773658
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Nameethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N)nc(OC)n2)CC1
InChIInChI=1S/C12H20N6O3/c1-3-21-12(19)18-6-4-8(5-7-18)14-10-15-9(13)16-11(17-10)20-2/h8H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyAZYFRXPBJJCTTH-UHFFFAOYSA-N
XLogP0.50
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (CID 80773658) is ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(N)nc(OC)n2)CC1.
What is the InChIKey of ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is AZYFRXPBJJCTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-3-21-12(19)18-6-4-8(5-7-18)14-10-15-9(13)16-11(17-10)20-2/h8H,3-7H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 80773658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).