4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine

C17H15ClN4O2 — CID 164617393

IUPAC4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4O2/c1-23-13-7-3-11(4-8-13)15-20-16(18)22-17(21-15)19-12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeySOZPSYWSBURAOI-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.95
Rot. Bonds5

About 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine

4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 164617393) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID164617393
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4O2/c1-23-13-7-3-11(4-8-13)15-20-16(18)22-17(21-15)19-12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeySOZPSYWSBURAOI-UHFFFAOYSA-N
XLogP3.95
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine (CID 164617393) is 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(Cl)nc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is SOZPSYWSBURAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-23-13-7-3-11(4-8-13)15-20-16(18)22-17(21-15)19-12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H,19,20,21,22).
What are the key properties of 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine?
4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 342.79 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 164617393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).