4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine

C13H15ClN4O — CID 62870135

IUPAC4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCc1ccc(Oc2nc(Cl)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H15ClN4O/c1-4-9-5-7-10(8-6-9)19-13-16-11(14)15-12(17-13)18(2)3/h5-8H,4H2,1-3H3
InChIKeyBESONSGPUZSSOA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.95
Rot. Bonds4

About 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62870135) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62870135
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCc1ccc(Oc2nc(Cl)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H15ClN4O/c1-4-9-5-7-10(8-6-9)19-13-16-11(14)15-12(17-13)18(2)3/h5-8H,4H2,1-3H3
InChIKeyBESONSGPUZSSOA-UHFFFAOYSA-N
XLogP2.95
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62870135) is 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is CCc1ccc(Oc2nc(Cl)nc(N(C)C)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is BESONSGPUZSSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-4-9-5-7-10(8-6-9)19-13-16-11(14)15-12(17-13)18(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).