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

C17H15ClN4O — CID 164619745

IUPAC4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4O/c1-11-3-7-13(8-4-11)19-17-21-15(20-16(18)22-17)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyFLTCPEMJAUFTOO-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.25
Rot. Bonds4

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

4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 164619745) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID164619745
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4O/c1-11-3-7-13(8-4-11)19-17-21-15(20-16(18)22-17)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyFLTCPEMJAUFTOO-UHFFFAOYSA-N
XLogP4.25
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine (CID 164619745) is 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine is COc1ccc(-c2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is FLTCPEMJAUFTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-3-7-13(8-4-11)19-17-21-15(20-16(18)22-17)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H,19,20,21,22).
What are the key properties of 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 326.79 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 164619745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).