4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine

C11H18N4O3 — CID 80878655

IUPAC4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OCC2CCOCC2)n1
InChIInChI=1S/C11H18N4O3/c1-2-17-10-13-9(12)14-11(15-10)18-7-8-3-5-16-6-4-8/h8H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyAHKOSSRJGHZXQM-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.66
Rot. Bonds5

About 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine

4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine (PubChem CID 80878655) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
PubChem CID80878655
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OCC2CCOCC2)n1
InChIInChI=1S/C11H18N4O3/c1-2-17-10-13-9(12)14-11(15-10)18-7-8-3-5-16-6-4-8/h8H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyAHKOSSRJGHZXQM-UHFFFAOYSA-N
XLogP0.66
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-methyl-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
CID 80880671
4-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
2-ethoxy-4-(oxan-4-ylmethoxy)aniline
CID 63678220
4-ethoxy-6-(3-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80861927
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80851949
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4-(oxan-4-ylmethoxy)quinazolin-2-amine
CID 80880152
4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
CID 80873031
4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
CID 80859204
2-N,2-N-diethyl-6-(oxan-4-yloxy)-1,3,5-triazine-2,4-diamine
CID 80872901
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80845232

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine (CID 80878655) is 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(OCC2CCOCC2)n1.
What is the InChIKey of 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine?
The InChIKey is AHKOSSRJGHZXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-17-10-13-9(12)14-11(15-10)18-7-8-3-5-16-6-4-8/h8H,2-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine?
4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine has a molecular weight of 254.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80878655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).