4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine

C14H16F3N5O — CID 170394525

IUPAC4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)nc(OCC(C)(F)C(F)F)n1
InChIInChI=1S/C14H16F3N5O/c1-14(17,10(15)16)8-23-13-21-11(18-2)20-12(22-13)19-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyNZUHBCPXLWMNRL-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.03
Rot. Bonds7

About 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 170394525) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID170394525
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)nc(OCC(C)(F)C(F)F)n1
InChIInChI=1S/C14H16F3N5O/c1-14(17,10(15)16)8-23-13-21-11(18-2)20-12(22-13)19-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyNZUHBCPXLWMNRL-UHFFFAOYSA-N
XLogP3.03
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-6-(2,2,2-trifluoroethoxy)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 1044905
N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 126478513
1-N,2-N-bis[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]benzene-1,2-diamine
CID 2826886
4-N-[3-(1,1-difluoroethyl)phenyl]-2-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 70992647
6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 58040288
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80825210
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
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
N-methyl-2-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetamide
CID 87237332
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
4-methyl-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 88586086

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine (CID 170394525) is 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccccc2)nc(OCC(C)(F)C(F)F)n1.
What is the InChIKey of 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is NZUHBCPXLWMNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-14(17,10(15)16)8-23-13-21-11(18-2)20-12(22-13)19-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 327.31 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 170394525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).