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

C13H13Cl2N5O — CID 62869174

IUPAC4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H13Cl2N5O/c14-9-3-1-2-4-10(9)16-12-17-11(15)18-13(19-12)20-5-7-21-8-6-20/h1-4H,5-8H2,(H,16,17,18,19)
InChIKeySFHUYKLZHJJZFK-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.76
Rot. Bonds3

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

4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 62869174) has the molecular formula C13H13Cl2N5O and a molecular weight of 326.19 g/mol. Its IUPAC name is 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID62869174
Molecular FormulaC13H13Cl2N5O
Molecular Weight326.19 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H13Cl2N5O/c14-9-3-1-2-4-10(9)16-12-17-11(15)18-13(19-12)20-5-7-21-8-6-20/h1-4H,5-8H2,(H,16,17,18,19)
InChIKeySFHUYKLZHJJZFK-UHFFFAOYSA-N
XLogP2.76
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 62869174) is 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2ccccc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is SFHUYKLZHJJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5O/c14-9-3-1-2-4-10(9)16-12-17-11(15)18-13(19-12)20-5-7-21-8-6-20/h1-4H,5-8H2,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 326.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).