N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine

C12H22N4O3 — CID 106669087

IUPACN-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(OCCC(C)(C)OC)n1
InChIInChI=1S/C12H22N4O3/c1-6-13-9-14-10(17-4)16-11(15-9)19-8-7-12(2,3)18-5/h6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyRTXGZDABAAICSD-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.51
Rot. Bonds8

About N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine (PubChem CID 106669087) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine
PubChem CID106669087
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(OCCC(C)(C)OC)n1
InChIInChI=1S/C12H22N4O3/c1-6-13-9-14-10(17-4)16-11(15-9)19-8-7-12(2,3)18-5/h6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyRTXGZDABAAICSD-UHFFFAOYSA-N
XLogP1.51
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine (CID 106669087) is N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(OCCC(C)(C)OC)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine?
The InChIKey is RTXGZDABAAICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-6-13-9-14-10(17-4)16-11(15-9)19-8-7-12(2,3)18-5/h6-8H2,1-5H3,(H,13,14,15,16).
What are the key properties of N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine has a molecular weight of 270.33 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106669087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).