1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C21H26FN5O — CID 134124598

IUPAC1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(CON1C(N)=NC(N)=NC1(C)C)Cc1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C21H26FN5O/c1-14(13-28-27-20(24)25-19(23)26-21(27,2)3)11-15-9-10-18(22)17(12-15)16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3,(H4,23,24,25,26)
InChIKeyWKSRWCAITLRQJH-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.28
Rot. Bonds6

About 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 134124598) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID134124598
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(CON1C(N)=NC(N)=NC1(C)C)Cc1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C21H26FN5O/c1-14(13-28-27-20(24)25-19(23)26-21(27,2)3)11-15-9-10-18(22)17(12-15)16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3,(H4,23,24,25,26)
InChIKeyWKSRWCAITLRQJH-UHFFFAOYSA-N
XLogP3.28
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 134124598) is 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC(CON1C(N)=NC(N)=NC1(C)C)Cc1ccc(F)c(-c2ccccc2)c1.
What is the InChIKey of 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WKSRWCAITLRQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-14(13-28-27-20(24)25-19(23)26-21(27,2)3)11-15-9-10-18(22)17(12-15)16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3,(H4,23,24,25,26).
What are the key properties of 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 383.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134124598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).