4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine

C21H31F3N6 — CID 10764802

IUPAC4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1
InChIInChI=1S/C21H31F3N6/c1-7-12-29(13-8-2)19-25-15(4)26-20(27-19)30(9-3)18-11-10-16(28(5)6)14-17(18)21(22,23)24/h10-11,14H,7-9,12-13H2,1-6H3
InChIKeyQADWFPRBMZALOX-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.05
Rot. Bonds9

About 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine

4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 10764802) has the molecular formula C21H31F3N6 and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID10764802
Molecular FormulaC21H31F3N6
Molecular Weight424.52 g/mol
Exact Mass424.26
IUPAC Name4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1
InChIInChI=1S/C21H31F3N6/c1-7-12-29(13-8-2)19-25-15(4)26-20(27-19)30(9-3)18-11-10-16(28(5)6)14-17(18)21(22,23)24/h10-11,14H,7-9,12-13H2,1-6H3
InChIKeyQADWFPRBMZALOX-UHFFFAOYSA-N
XLogP5.05
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 10764802) is 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1.
What is the InChIKey of 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QADWFPRBMZALOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F3N6/c1-7-12-29(13-8-2)19-25-15(4)26-20(27-19)30(9-3)18-11-10-16(28(5)6)14-17(18)21(22,23)24/h10-11,14H,7-9,12-13H2,1-6H3.
What are the key properties of 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 424.52 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-N-ethyl-6-methyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10764802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).