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

C17H15Cl2N5O — CID 10110036

IUPAC6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H15Cl2N5O/c1-2-25-14-8-5-11(19)9-13(14)15-22-16(20)24-17(23-15)21-12-6-3-10(18)4-7-12/h3-9H,2H2,1H3,(H3,20,21,22,23,24)
InChIKeyOLBWJBMIMUGGOB-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.57
Rot. Bonds5

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

6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10110036) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10110036
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H15Cl2N5O/c1-2-25-14-8-5-11(19)9-13(14)15-22-16(20)24-17(23-15)21-12-6-3-10(18)4-7-12/h3-9H,2H2,1H3,(H3,20,21,22,23,24)
InChIKeyOLBWJBMIMUGGOB-UHFFFAOYSA-N
XLogP4.57
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 10110036) is 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is CCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OLBWJBMIMUGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-2-25-14-8-5-11(19)9-13(14)15-22-16(20)24-17(23-15)21-12-6-3-10(18)4-7-12/h3-9H,2H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 376.25 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-ethoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10110036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).