bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane

C24H30Cl2N8 — CID 159104924

IUPACbis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
SMILESCC.CC.Cc1nc(Cl)nc(Nc2ccccc2)n1.Cc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/2C10H9ClN4.2C2H6/c2*1-7-12-9(11)15-10(13-7)14-8-5-3-2-4-6-8;2*1-2/h2*2-6H,1H3,(H,12,13,14,15);2*1-2H3
InChIKeyKDTJQSWICMQDKT-UHFFFAOYSA-N
MW501.47 g/mol
LogP7.21
Rot. Bonds4

About bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane

bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane (PubChem CID 159104924) has the molecular formula C24H30Cl2N8 and a molecular weight of 501.47 g/mol. Its IUPAC name is bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane.

Molecular Properties

Compound Namebis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
PubChem CID159104924
Molecular FormulaC24H30Cl2N8
Molecular Weight501.47 g/mol
Exact Mass500.20
IUPAC Namebis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
SMILESCC.CC.Cc1nc(Cl)nc(Nc2ccccc2)n1.Cc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/2C10H9ClN4.2C2H6/c2*1-7-12-9(11)15-10(13-7)14-8-5-3-2-4-6-8;2*1-2/h2*2-6H,1H3,(H,12,13,14,15);2*1-2H3
InChIKeyKDTJQSWICMQDKT-UHFFFAOYSA-N
XLogP7.21
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.47
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane?
The IUPAC name of bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane (CID 159104924) is bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane.
What is the SMILES notation for bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane?
The canonical SMILES for bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane is CC.CC.Cc1nc(Cl)nc(Nc2ccccc2)n1.Cc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane?
The InChIKey is KDTJQSWICMQDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9ClN4.2C2H6/c2*1-7-12-9(11)15-10(13-7)14-8-5-3-2-4-6-8;2*1-2/h2*2-6H,1H3,(H,12,13,14,15);2*1-2H3.
What are the key properties of bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane?
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane has a molecular weight of 501.47 g/mol, XLogP of 7.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane is sourced from PubChem (CID 159104924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).