4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine

C12H13ClN4O2 — CID 80862587

IUPAC4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Oc2nc(Cl)nc(NC)n2)cc1
InChIInChI=1S/C12H13ClN4O2/c1-3-18-8-4-6-9(7-5-8)19-12-16-10(13)15-11(14-2)17-12/h4-7H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyDIPKMMASTXADRM-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.76
Rot. Bonds5

About 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80862587) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80862587
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Oc2nc(Cl)nc(NC)n2)cc1
InChIInChI=1S/C12H13ClN4O2/c1-3-18-8-4-6-9(7-5-8)19-12-16-10(13)15-11(14-2)17-12/h4-7H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyDIPKMMASTXADRM-UHFFFAOYSA-N
XLogP2.76
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834
4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-chloro-6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-1,3,5-triazin-2-amine
CID 80878499
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
CID 80865498
4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80870186
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine (CID 80862587) is 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine is CCOc1ccc(Oc2nc(Cl)nc(NC)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is DIPKMMASTXADRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-3-18-8-4-6-9(7-5-8)19-12-16-10(13)15-11(14-2)17-12/h4-7H,3H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80862587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).