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

C19H27F3N6 — CID 10810752

IUPAC2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1
InChIInChI=1S/C19H27F3N6/c1-7-27(8-2)17-23-13(4)24-18(25-17)28(9-3)16-11-10-14(26(5)6)12-15(16)19(20,21)22/h10-12H,7-9H2,1-6H3
InChIKeyPENCSZGSOKLHBQ-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.27
Rot. Bonds7

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

2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 10810752) has the molecular formula C19H27F3N6 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID10810752
Molecular FormulaC19H27F3N6
Molecular Weight396.46 g/mol
Exact Mass396.22
IUPAC Name2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1
InChIInChI=1S/C19H27F3N6/c1-7-27(8-2)17-23-13(4)24-18(25-17)28(9-3)16-11-10-14(26(5)6)12-15(16)19(20,21)22/h10-12H,7-9H2,1-6H3
InChIKeyPENCSZGSOKLHBQ-UHFFFAOYSA-N
XLogP4.27
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine (CID 10810752) is 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1.
What is the InChIKey of 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PENCSZGSOKLHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6/c1-7-27(8-2)17-23-13(4)24-18(25-17)28(9-3)16-11-10-14(26(5)6)12-15(16)19(20,21)22/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 396.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10810752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).