4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine

C10H9ClN4O — CID 122641824

IUPAC4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(Oc2ccccc2Cl)n1
InChIInChI=1S/C10H9ClN4O/c1-6-13-9(12)15-10(14-6)16-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14,15)
InChIKeySSBPFBBHPPSLFS-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.21
Rot. Bonds2

About 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine

4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 122641824) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine
PubChem CID122641824
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(Oc2ccccc2Cl)n1
InChIInChI=1S/C10H9ClN4O/c1-6-13-9(12)15-10(14-6)16-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14,15)
InChIKeySSBPFBBHPPSLFS-UHFFFAOYSA-N
XLogP2.21
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine (CID 122641824) is 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(Oc2ccccc2Cl)n1.
What is the InChIKey of 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is SSBPFBBHPPSLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6-13-9(12)15-10(14-6)16-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine?
4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 236.66 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 122641824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).