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

C12H13ClFN5O — CID 80756168

IUPAC2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(F)cc2Cl)nc(OC)n1
InChIInChI=1S/C12H13ClFN5O/c1-3-15-10-17-11(19-12(18-10)20-2)16-9-5-4-7(14)6-8(9)13/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJFKMMSPHBVHDGM-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.85
Rot. Bonds5

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

2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80756168) has the molecular formula C12H13ClFN5O and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80756168
Molecular FormulaC12H13ClFN5O
Molecular Weight297.72 g/mol
Exact Mass297.08
IUPAC Name2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(F)cc2Cl)nc(OC)n1
InChIInChI=1S/C12H13ClFN5O/c1-3-15-10-17-11(19-12(18-10)20-2)16-9-5-4-7(14)6-8(9)13/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJFKMMSPHBVHDGM-UHFFFAOYSA-N
XLogP2.85
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181
4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80849919
6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107531871
6-chloro-4-N-ethyl-2-N-(4-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762015
2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781316
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285
N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62858822
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081294
2-N-(2-chlorophenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589368

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80756168) is 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2ccc(F)cc2Cl)nc(OC)n1.
What is the InChIKey of 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JFKMMSPHBVHDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN5O/c1-3-15-10-17-11(19-12(18-10)20-2)16-9-5-4-7(14)6-8(9)13/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 297.72 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80756168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).