2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

C11H11F2N5O — CID 80762744

IUPAC2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H11F2N5O/c1-2-19-11-17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6/h3-5H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyUNOTVTAUNYXOIC-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.87
Rot. Bonds4

About 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80762744) has the molecular formula C11H11F2N5O and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80762744
Molecular FormulaC11H11F2N5O
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H11F2N5O/c1-2-19-11-17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6/h3-5H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyUNOTVTAUNYXOIC-UHFFFAOYSA-N
XLogP1.87
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
6-ethoxy-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80758411
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632
6-ethoxy-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80855808
6-ethoxy-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80737984
6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754761
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80825210
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
2-N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80832000
2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 82862288
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80762744) is 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is UNOTVTAUNYXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O/c1-2-19-11-17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6/h3-5H,2H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 267.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80762744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).