6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H16ClN5O — CID 778567

IUPAC6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16ClN5O/c1-11-3-5-12(6-4-11)19-16-21-15(18)22-17(23-16)20-13-7-9-14(24-2)10-8-13/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeyCHKHVFJQDXHKOI-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.33
Rot. Bonds5

About 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 778567) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID778567
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16ClN5O/c1-11-3-5-12(6-4-11)19-16-21-15(18)22-17(23-16)20-13-7-9-14(24-2)10-8-13/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeyCHKHVFJQDXHKOI-UHFFFAOYSA-N
XLogP4.33
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 778567) is 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CHKHVFJQDXHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-3-5-12(6-4-11)19-16-21-15(18)22-17(23-16)20-13-7-9-14(24-2)10-8-13/h3-10H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 341.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 778567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).