2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C9H14F3N5 — CID 112746483

IUPAC2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5/c1-3-4-5-17(2)8-15-6(9(10,11)12)14-7(13)16-8/h3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAVVHFCPSUYUDCL-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.71
Rot. Bonds4

About 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746483) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746483
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5/c1-3-4-5-17(2)8-15-6(9(10,11)12)14-7(13)16-8/h3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAVVHFCPSUYUDCL-UHFFFAOYSA-N
XLogP1.71
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
Triazine, 2-amino-4-methyl-6-pyrrolidino-
CID 207475
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954
1,3,5-Triazin-2-amine, 4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041955
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
s-Triazine, 2-amino-4-isopropylamino-6-trifluoromethyl-
CID 3041987
4-(1,1,2,2,3,3,3-Heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 164682313
4-Amino-6-(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 5299858
2-Difluoromethyl-4-amino-6-ethylamino-s-triazine
CID 129787532
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 178327053
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine
CID 541429

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 112746483) is 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CCCCN(C)c1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AVVHFCPSUYUDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-3-4-5-17(2)8-15-6(9(10,11)12)14-7(13)16-8/h3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 249.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).