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

C10H9ClN4O2 — CID 14724248

IUPAC4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Oc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C10H9ClN4O2/c1-16-6-2-4-7(5-3-6)17-10-14-8(11)13-9(12)15-10/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyAAHMBKXASRRONG-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.91
Rot. Bonds3

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

4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine (PubChem CID 14724248) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
PubChem CID14724248
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Oc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C10H9ClN4O2/c1-16-6-2-4-7(5-3-6)17-10-14-8(11)13-9(12)15-10/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyAAHMBKXASRRONG-UHFFFAOYSA-N
XLogP1.91
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine (CID 14724248) is 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine is COc1ccc(Oc2nc(N)nc(Cl)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is AAHMBKXASRRONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-16-6-2-4-7(5-3-6)17-10-14-8(11)13-9(12)15-10/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 252.66 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 14724248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).