6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

C11H12ClN5 — CID 6452884

IUPAC6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C11H12ClN5/c1-2-13-10-15-9(12)16-11(17-10)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyWKGKIZFYYWEEHC-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.70
Rot. Bonds4

About 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 6452884) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID6452884
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C11H12ClN5/c1-2-13-10-15-9(12)16-11(17-10)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyWKGKIZFYYWEEHC-UHFFFAOYSA-N
XLogP2.70
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 6452884) is 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WKGKIZFYYWEEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-2-13-10-15-9(12)16-11(17-10)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 249.71 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6452884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).