2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C17H16ClN5O2 — CID 10269739

IUPAC2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OC)c(-c2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C17H16ClN5O2/c1-24-12-7-8-14(25-2)13(9-12)15-21-16(19)23-17(22-15)20-11-5-3-10(18)4-6-11/h3-9H,1-2H3,(H3,19,20,21,22,23)
InChIKeyZTZIBJNTCOONDT-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.54
Rot. Bonds5

About 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10269739) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10269739
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OC)c(-c2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C17H16ClN5O2/c1-24-12-7-8-14(25-2)13(9-12)15-21-16(19)23-17(22-15)20-11-5-3-10(18)4-6-11/h3-9H,1-2H3,(H3,19,20,21,22,23)
InChIKeyZTZIBJNTCOONDT-UHFFFAOYSA-N
XLogP3.54
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 10269739) is 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(OC)c(-c2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZTZIBJNTCOONDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-24-12-7-8-14(25-2)13(9-12)15-21-16(19)23-17(22-15)20-11-5-3-10(18)4-6-11/h3-9H,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 357.80 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10269739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).