4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine

C12H13ClN4O — CID 80869787

IUPAC4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2ccccc2C)n1
InChIInChI=1S/C12H13ClN4O/c1-3-14-11-15-10(13)16-12(17-11)18-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyWHYADEDHATZHEO-UHFFFAOYSA-N
MW264.72 g/mol
LogP3.06
Rot. Bonds4

About 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80869787) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80869787
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2ccccc2C)n1
InChIInChI=1S/C12H13ClN4O/c1-3-14-11-15-10(13)16-12(17-11)18-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyWHYADEDHATZHEO-UHFFFAOYSA-N
XLogP3.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869398
4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 80882080
4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80876402
4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80863984
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879645
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 62869628
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834
4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865878
4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80870824
4-N-ethyl-2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 2938024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine (CID 80869787) is 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Oc2ccccc2C)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is WHYADEDHATZHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-3-14-11-15-10(13)16-12(17-11)18-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80869787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).