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

C12H13ClN4O2 — CID 80870348

IUPAC4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2ccc(OC)cc2)n1
InChIInChI=1S/C12H13ClN4O2/c1-3-14-11-15-10(13)16-12(17-11)19-9-6-4-8(18-2)5-7-9/h4-7H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyYZVQECCGFLIGST-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.76
Rot. Bonds5

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

4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80870348) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
PubChem CID80870348
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2ccc(OC)cc2)n1
InChIInChI=1S/C12H13ClN4O2/c1-3-14-11-15-10(13)16-12(17-11)19-9-6-4-8(18-2)5-7-9/h4-7H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyYZVQECCGFLIGST-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-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80863984
N-ethyl-4-methoxy-6-(4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865175
4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865878
4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80882090
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80876915
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80875034
N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80879017
4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80876402

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine (CID 80870348) is 4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Oc2ccc(OC)cc2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is YZVQECCGFLIGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-3-14-11-15-10(13)16-12(17-11)19-9-6-4-8(18-2)5-7-9/h4-7H,3H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-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-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).