4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C21H23FN6O — CID 18584707

IUPAC4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C21H23FN6O/c1-2-29-18-11-9-17(10-12-18)24-20-25-19(23-16-7-5-15(22)6-8-16)26-21(27-20)28-13-3-4-14-28/h5-12H,2-4,13-14H2,1H3,(H2,23,24,25,26,27)
InChIKeyFHRXPNJRLVXGBH-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.50
Rot. Bonds7

About 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18584707) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID18584707
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C21H23FN6O/c1-2-29-18-11-9-17(10-12-18)24-20-25-19(23-16-7-5-15(22)6-8-16)26-21(27-20)28-13-3-4-14-28/h5-12H,2-4,13-14H2,1H3,(H2,23,24,25,26,27)
InChIKeyFHRXPNJRLVXGBH-UHFFFAOYSA-N
XLogP4.50
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-[[4-[[2-(1,1-Dimethylethoxy)phenyl]amino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 17757274
6-chloro-N,N'-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-[[4-(2-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648021
2-[[4-(4-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648023
2-({4-[(2-Ethoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648025
2-[[4-(2-Phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648026
6-hydrazinyl-N2,N4-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1547730
6-{[cyclohexyl(methyl)amino]methyl}-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1088062
4-chloro-N-(4-fluorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1202188
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 16721099
4,6-dimorpholino-N-(4-(trifluoromethoxy)phenyl)-1,3,5-triazin-2-amine hydrochloride
CID 16800054
2-[3-(4-Fluorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine
CID 72950535

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 18584707) is 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCOc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FHRXPNJRLVXGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-2-29-18-11-9-17(10-12-18)24-20-25-19(23-16-7-5-15(22)6-8-16)26-21(27-20)28-13-3-4-14-28/h5-12H,2-4,13-14H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 394.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18584707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).