4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine

C13H17ClN4O2 — CID 62859055

IUPAC4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C13H17ClN4O2/c1-5-19-13-17-11(14)16-12(18-13)15-8(3)10-6-7(2)20-9(10)4/h6,8H,5H2,1-4H3,(H,15,16,17,18)
InChIKeyQGWOFQYEXRPMIM-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.31
Rot. Bonds5

About 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine

4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 62859055) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID62859055
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C13H17ClN4O2/c1-5-19-13-17-11(14)16-12(18-13)15-8(3)10-6-7(2)20-9(10)4/h6,8H,5H2,1-4H3,(H,15,16,17,18)
InChIKeyQGWOFQYEXRPMIM-UHFFFAOYSA-N
XLogP3.31
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
CID 62858377
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 62857388
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 62342085
4-chloro-6-ethoxy-N-hex-5-yn-3-yl-1,3,5-triazin-2-amine
CID 106195669
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80801788
6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 80953528
2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 106014097
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine (CID 62859055) is 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NC(C)c2cc(C)oc2C)n1.
What is the InChIKey of 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is QGWOFQYEXRPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-5-19-13-17-11(14)16-12(18-13)15-8(3)10-6-7(2)20-9(10)4/h6,8H,5H2,1-4H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 296.76 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).