4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine

C11H9ClF2N4O — CID 82819504

IUPAC4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2c(F)ccc(C)c2F)n1
InChIInChI=1S/C11H9ClF2N4O/c1-5-3-4-6(13)8(7(5)14)15-10-16-9(12)17-11(18-10)19-2/h3-4H,1-2H3,(H,15,16,17,18)
InChIKeyCWXXWKOPZBJZJL-UHFFFAOYSA-N
MW286.67 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 82819504) has the molecular formula C11H9ClF2N4O and a molecular weight of 286.67 g/mol. Its IUPAC name is 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID82819504
Molecular FormulaC11H9ClF2N4O
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC Name4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2c(F)ccc(C)c2F)n1
InChIInChI=1S/C11H9ClF2N4O/c1-5-3-4-6(13)8(7(5)14)15-10-16-9(12)17-11(18-10)19-2/h3-4H,1-2H3,(H,15,16,17,18)
InChIKeyCWXXWKOPZBJZJL-UHFFFAOYSA-N
XLogP2.86
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine (CID 82819504) is 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2c(F)ccc(C)c2F)n1.
What is the InChIKey of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is CWXXWKOPZBJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O/c1-5-3-4-6(13)8(7(5)14)15-10-16-9(12)17-11(18-10)19-2/h3-4H,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 286.67 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 82819504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).