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

C11H10Cl2FN5 — CID 107531871

IUPAC6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C11H10Cl2FN5/c1-2-15-10-17-9(13)18-11(19-10)16-8-5-6(14)3-4-7(8)12/h3-5H,2H2,1H3,(H2,15,16,17,18,19)
InChIKeyZDADWRZLXFRVAH-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.49
Rot. Bonds4

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

6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107531871) has the molecular formula C11H10Cl2FN5 and a molecular weight of 302.14 g/mol. Its IUPAC name is 6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID107531871
Molecular FormulaC11H10Cl2FN5
Molecular Weight302.14 g/mol
Exact Mass301.03
IUPAC Name6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C11H10Cl2FN5/c1-2-15-10-17-9(13)18-11(19-10)16-8-5-6(14)3-4-7(8)12/h3-5H,2H2,1H3,(H2,15,16,17,18,19)
InChIKeyZDADWRZLXFRVAH-UHFFFAOYSA-N
XLogP3.49
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-ethyl-2-N-(4-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762015
6-chloro-2-N-(2-chloro-5-methylphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107638979
6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759661
6-chloro-2-N-(5-fluoro-2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80762139
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
2-N-(2-chlorophenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589368
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 19377260
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768130
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 107531871) is 6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZDADWRZLXFRVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN5/c1-2-15-10-17-9(13)18-11(19-10)16-8-5-6(14)3-4-7(8)12/h3-5H,2H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 302.14 g/mol, XLogP of 3.49, 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-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107531871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).