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

C11H10BrClFN5 — CID 62869327

IUPAC4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H10BrClFN5/c1-19(2)11-17-9(13)16-10(18-11)15-8-4-3-6(12)5-7(8)14/h3-5H,1-2H3,(H,15,16,17,18)
InChIKeyOBMIMHSBMLWETF-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.24
Rot. Bonds3

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

4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 62869327) has the molecular formula C11H10BrClFN5 and a molecular weight of 346.59 g/mol. Its IUPAC name is 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID62869327
Molecular FormulaC11H10BrClFN5
Molecular Weight346.59 g/mol
Exact Mass344.98
IUPAC Name4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H10BrClFN5/c1-19(2)11-17-9(13)16-10(18-11)15-8-4-3-6(12)5-7(8)14/h3-5H,1-2H3,(H,15,16,17,18)
InChIKeyOBMIMHSBMLWETF-UHFFFAOYSA-N
XLogP3.24
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 62869327) is 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(Nc2ccc(Br)cc2F)n1.
What is the InChIKey of 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OBMIMHSBMLWETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFN5/c1-19(2)11-17-9(13)16-10(18-11)15-8-4-3-6(12)5-7(8)14/h3-5H,1-2H3,(H,15,16,17,18).
What are the key properties of 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.59 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62869327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).