2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine

C11H11F2N5O2 — CID 80753951

IUPAC2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2ccccc2OC(F)F)n1
InChIInChI=1S/C11H11F2N5O2/c1-19-11-17-9(14)16-10(18-11)15-6-4-2-3-5-7(6)20-8(12)13/h2-5,8H,1H3,(H3,14,15,16,17,18)
InChIKeyIPPGHLRTEUEMOW-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.81
Rot. Bonds5

About 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80753951) has the molecular formula C11H11F2N5O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80753951
Molecular FormulaC11H11F2N5O2
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2ccccc2OC(F)F)n1
InChIInChI=1S/C11H11F2N5O2/c1-19-11-17-9(14)16-10(18-11)15-6-4-2-3-5-7(6)20-8(12)13/h2-5,8H,1H3,(H3,14,15,16,17,18)
InChIKeyIPPGHLRTEUEMOW-UHFFFAOYSA-N
XLogP1.81
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
2-N-(2,3-dichlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80755049
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80729422
6-methoxy-2-N-(2,4,5-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80825019
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
2-N-(2,4-dimethylphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763510
2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 63758913
2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248
6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 80768034

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80753951) is 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(Nc2ccccc2OC(F)F)n1.
What is the InChIKey of 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is IPPGHLRTEUEMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O2/c1-19-11-17-9(14)16-10(18-11)15-6-4-2-3-5-7(6)20-8(12)13/h2-5,8H,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 283.24 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80753951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).