4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine

C11H10F2N4 — CID 19897292

IUPAC4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(F)nc(F)n1)c1ccccc1
InChIInChI=1S/C11H10F2N4/c1-7(8-5-3-2-4-6-8)14-11-16-9(12)15-10(13)17-11/h2-7H,1H3,(H,14,15,16,17)
InChIKeySAQYMZPTMUDUJV-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.32
Rot. Bonds3

About 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine

4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine (PubChem CID 19897292) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
PubChem CID19897292
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(F)nc(F)n1)c1ccccc1
InChIInChI=1S/C11H10F2N4/c1-7(8-5-3-2-4-6-8)14-11-16-9(12)15-10(13)17-11/h2-7H,1H3,(H,14,15,16,17)
InChIKeySAQYMZPTMUDUJV-UHFFFAOYSA-N
XLogP2.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
CID 44516135
4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228
6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 116795404
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309306
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5050817
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112916763
4-N-(4-bromophenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916834

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine (CID 19897292) is 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine is CC(Nc1nc(F)nc(F)n1)c1ccccc1.
What is the InChIKey of 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine?
The InChIKey is SAQYMZPTMUDUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-7(8-5-3-2-4-6-8)14-11-16-9(12)15-10(13)17-11/h2-7H,1H3,(H,14,15,16,17).
What are the key properties of 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine?
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine has a molecular weight of 236.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19897292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).