4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H12Cl3N5O — CID 20994519

IUPAC4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1cc(Cl)cc(Nc2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C13H12Cl3N5O/c14-8-5-9(15)7-10(6-8)17-12-18-11(16)19-13(20-12)21-1-3-22-4-2-21/h5-7H,1-4H2,(H,17,18,19,20)
InChIKeyWXEDEEQCVSHYFH-UHFFFAOYSA-N
MW360.63 g/mol
LogP3.41
Rot. Bonds3

About 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 20994519) has the molecular formula C13H12Cl3N5O and a molecular weight of 360.63 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID20994519
Molecular FormulaC13H12Cl3N5O
Molecular Weight360.63 g/mol
Exact Mass359.01
IUPAC Name4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1cc(Cl)cc(Nc2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C13H12Cl3N5O/c14-8-5-9(15)7-10(6-8)17-12-18-11(16)19-13(20-12)21-1-3-22-4-2-21/h5-7H,1-4H2,(H,17,18,19,20)
InChIKeyWXEDEEQCVSHYFH-UHFFFAOYSA-N
XLogP3.41
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 20994519) is 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Clc1cc(Cl)cc(Nc2nc(Cl)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is WXEDEEQCVSHYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N5O/c14-8-5-9(15)7-10(6-8)17-12-18-11(16)19-13(20-12)21-1-3-22-4-2-21/h5-7H,1-4H2,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 360.63 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 20994519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).