6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine

C15H20FN5O — CID 15022779

IUPAC6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(OCC(C)Nc2nc(N)nc(C(C)F)n2)c1
InChIInChI=1S/C15H20FN5O/c1-9-5-4-6-12(7-9)22-8-10(2)18-15-20-13(11(3)16)19-14(17)21-15/h4-7,10-11H,8H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyGXJDAFUYTDFSEO-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.67
Rot. Bonds6

About 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 15022779) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID15022779
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(OCC(C)Nc2nc(N)nc(C(C)F)n2)c1
InChIInChI=1S/C15H20FN5O/c1-9-5-4-6-12(7-9)22-8-10(2)18-15-20-13(11(3)16)19-14(17)21-15/h4-7,10-11H,8H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyGXJDAFUYTDFSEO-UHFFFAOYSA-N
XLogP2.67
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
6-(4-Propoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 659117
6-fluoro-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393072
4-[(3-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155547693
Triaziflam
CID 10947588
6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34722533
1,3,5-Triazine-2,4-diamine, 6-((4-iodophenoxy)methyl)-N-(2-phenylethyl)-
CID 3043935
6-chloro-N-ethyl-N'-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 15945094
2-N,2-N-dimethyl-6-[(2-phenoxyethylamino)methyl]-4-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 145979871
6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 676259
6-[(1S)-1-[2-(3,5-dimethylphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25987660
[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[3-(trifluoromethyl)phenoxy]acetate
CID 32274819

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 15022779) is 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine is Cc1cccc(OCC(C)Nc2nc(N)nc(C(C)F)n2)c1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GXJDAFUYTDFSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-9-5-4-6-12(7-9)22-8-10(2)18-15-20-13(11(3)16)19-14(17)21-15/h4-7,10-11H,8H2,1-3H3,(H3,17,18,19,20,21).
What are the key properties of 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 305.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15022779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).