2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C19H21F6N5O2 — CID 129304826

IUPAC2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC3CCCCC3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1
InChIInChI=1S/C19H21F6N5O2/c1-31-13-9-7-12(8-10-13)27-16-28-15(26-11-5-3-2-4-6-11)29-17(30-16)32-14(18(20,21)22)19(23,24)25/h7-11,14H,2-6H2,1H3,(H2,26,27,28,29,30)
InChIKeyLLCIAMUQDCIZHF-UHFFFAOYSA-N
MW465.40 g/mol
LogP5.24
Rot. Bonds7

About 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 129304826) has the molecular formula C19H21F6N5O2 and a molecular weight of 465.40 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID129304826
Molecular FormulaC19H21F6N5O2
Molecular Weight465.40 g/mol
Exact Mass465.16
IUPAC Name2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC3CCCCC3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1
InChIInChI=1S/C19H21F6N5O2/c1-31-13-9-7-12(8-10-13)27-16-28-15(26-11-5-3-2-4-6-11)29-17(30-16)32-14(18(20,21)22)19(23,24)25/h7-11,14H,2-6H2,1H3,(H2,26,27,28,29,30)
InChIKeyLLCIAMUQDCIZHF-UHFFFAOYSA-N
XLogP5.24
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.40
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968
2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine
CID 57399457
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
2-N-(4-bromophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 3112025
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 146553735
N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 550635
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 686003

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 129304826) is 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(NC3CCCCC3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1.
What is the InChIKey of 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LLCIAMUQDCIZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F6N5O2/c1-31-13-9-7-12(8-10-13)27-16-28-15(26-11-5-3-2-4-6-11)29-17(30-16)32-14(18(20,21)22)19(23,24)25/h7-11,14H,2-6H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 465.40 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129304826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).