6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine

C14H18FN5O — CID 22965370

IUPAC6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(C(C)Nc2nc(N)nc(C(C)F)n2)cc1
InChIInChI=1S/C14H18FN5O/c1-8(15)12-18-13(16)20-14(19-12)17-9(2)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H3,16,17,18,19,20)
InChIKeyARLQRBXGEZAUOY-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.67
Rot. Bonds5

About 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 22965370) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID22965370
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(C(C)Nc2nc(N)nc(C(C)F)n2)cc1
InChIInChI=1S/C14H18FN5O/c1-8(15)12-18-13(16)20-14(19-12)17-9(2)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H3,16,17,18,19,20)
InChIKeyARLQRBXGEZAUOY-UHFFFAOYSA-N
XLogP2.67
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
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-(4-Ethoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 660448
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-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
CID 71599188
4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 71599190
5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile
CID 71599625
2-((4-(2-Fluoro-5-methoxyphenyl)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile
CID 117799404
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 117817112
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[3-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 117817309

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 22965370) is 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine is COc1ccc(C(C)Nc2nc(N)nc(C(C)F)n2)cc1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ARLQRBXGEZAUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-8(15)12-18-13(16)20-14(19-12)17-9(2)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.67, 5 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-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22965370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).