6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine

C16H20F3N5O — CID 21348627

IUPAC6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(OC(F)(F)F)cc1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C16H20F3N5O/c1-3-12(23-15-22-10(2)21-14(20)24-15)7-4-11-5-8-13(9-6-11)25-16(17,18)19/h5-6,8-9,12H,3-4,7H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyICTJXXYTPXPFCE-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.48
Rot. Bonds7

About 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 21348627) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine
PubChem CID21348627
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(OC(F)(F)F)cc1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C16H20F3N5O/c1-3-12(23-15-22-10(2)21-14(20)24-15)7-4-11-5-8-13(9-6-11)25-16(17,18)19/h5-6,8-9,12H,3-4,7H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyICTJXXYTPXPFCE-UHFFFAOYSA-N
XLogP3.48
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Propoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 659117
4-[(4-Methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137655929
6-(4-Methoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 826378
N-[(4-methoxyphenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 76326780
6-[[2-(2-methoxyphenyl)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 53611843
2-N-[1-(3,5-dimethylphenoxy)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 10915243
2-Amino4-isopropyl-6-[2-(3-trifluoromethylphenoxy)-1-ethyl-ethylamino]-1,3,5-triazine
CID 11036020
2-N-[1-cyclopentyl-2-(3-methylphenoxy)ethyl]-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
CID 11338929
2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 15022768
6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 15022777
6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 15022779
6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 15022780

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine (CID 21348627) is 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine is CCC(CCc1ccc(OC(F)(F)F)cc1)Nc1nc(C)nc(N)n1.
What is the InChIKey of 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ICTJXXYTPXPFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-3-12(23-15-22-10(2)21-14(20)24-15)7-4-11-5-8-13(9-6-11)25-16(17,18)19/h5-6,8-9,12H,3-4,7H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 355.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).