2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C11H10Cl2FN5O — CID 83081294

IUPAC2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2c(Cl)cc(F)cc2Cl)nc(OC)n1
InChIInChI=1S/C11H10Cl2FN5O/c1-15-9-17-10(19-11(18-9)20-2)16-8-6(12)3-5(14)4-7(8)13/h3-4H,1-2H3,(H2,15,16,17,18,19)
InChIKeyRGBTWYISWFXGBC-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.11
Rot. Bonds4

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

2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 83081294) has the molecular formula C11H10Cl2FN5O and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID83081294
Molecular FormulaC11H10Cl2FN5O
Molecular Weight318.14 g/mol
Exact Mass317.02
IUPAC Name2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2c(Cl)cc(F)cc2Cl)nc(OC)n1
InChIInChI=1S/C11H10Cl2FN5O/c1-15-9-17-10(19-11(18-9)20-2)16-8-6(12)3-5(14)4-7(8)13/h3-4H,1-2H3,(H2,15,16,17,18,19)
InChIKeyRGBTWYISWFXGBC-UHFFFAOYSA-N
XLogP3.11
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 83081294) is 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2c(Cl)cc(F)cc2Cl)nc(OC)n1.
What is the InChIKey of 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RGBTWYISWFXGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN5O/c1-15-9-17-10(19-11(18-9)20-2)16-8-6(12)3-5(14)4-7(8)13/h3-4H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 318.14 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83081294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).