6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

C11H11Cl2N5 — CID 53418673

IUPAC6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H11Cl2N5/c1-2-14-10-16-9(13)17-11(18-10)15-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyFRFKOAYEWVFJHR-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.35
Rot. Bonds4

About 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 53418673) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID53418673
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC Name6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H11Cl2N5/c1-2-14-10-16-9(13)17-11(18-10)15-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyFRFKOAYEWVFJHR-UHFFFAOYSA-N
XLogP3.35
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107604501
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759661
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80945010
2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589382

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 53418673) is 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FRFKOAYEWVFJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c1-2-14-10-16-9(13)17-11(18-10)15-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.15 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 53418673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).