6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C12H13F2N5O — CID 80880335

IUPAC6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2cccc(F)c2F)nc(N(C)C)n1
InChIInChI=1S/C12H13F2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyZSKXVRZKQFNDTC-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.05
Rot. Bonds4

About 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80880335) has the molecular formula C12H13F2N5O and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80880335
Molecular FormulaC12H13F2N5O
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2cccc(F)c2F)nc(N(C)C)n1
InChIInChI=1S/C12H13F2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyZSKXVRZKQFNDTC-UHFFFAOYSA-N
XLogP2.05
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
4-(2-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915893
6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80862387
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385
6-(2,4-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863196
2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine
CID 80865696
6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 115502962
4-(2,3-difluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80879795
2-N,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
4-(2,3-dichlorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916635

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 80880335) is 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(Oc2cccc(F)c2F)nc(N(C)C)n1.
What is the InChIKey of 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZSKXVRZKQFNDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O/c1-15-10-16-11(19(2)3)18-12(17-10)20-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,16,17,18).
What are the key properties of 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80880335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).