6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C16H20Cl2N6O — CID 1205144

IUPAC6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(CNc2nc(Cl)nc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H20Cl2N6O/c17-13-3-1-12(2-4-13)11-20-16-22-14(18)21-15(23-16)19-5-6-24-7-9-25-10-8-24/h1-4H,5-11H2,(H2,19,20,21,22,23)
InChIKeyZPISMALHGPBZSD-UHFFFAOYSA-N
MW383.28 g/mol
LogP2.53
Rot. Bonds7

About 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1205144) has the molecular formula C16H20Cl2N6O and a molecular weight of 383.28 g/mol. Its IUPAC name is 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1205144
Molecular FormulaC16H20Cl2N6O
Molecular Weight383.28 g/mol
Exact Mass382.11
IUPAC Name6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(CNc2nc(Cl)nc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H20Cl2N6O/c17-13-3-1-12(2-4-13)11-20-16-22-14(18)21-15(23-16)19-5-6-24-7-9-25-10-8-24/h1-4H,5-11H2,(H2,19,20,21,22,23)
InChIKeyZPISMALHGPBZSD-UHFFFAOYSA-N
XLogP2.53
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 1205144) is 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is Clc1ccc(CNc2nc(Cl)nc(NCCN3CCOCC3)n2)cc1.
What is the InChIKey of 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZPISMALHGPBZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6O/c17-13-3-1-12(2-4-13)11-20-16-22-14(18)21-15(23-16)19-5-6-24-7-9-25-10-8-24/h1-4H,5-11H2,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 383.28 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(4-chlorophenyl)methyl]-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1205144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).