2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine

C20H20F2N6O — CID 47027274

IUPAC2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCOC(c3ccc(F)cc3)C2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H20F2N6O/c21-14-3-1-13(2-4-14)17-11-28(9-10-29-17)12-18-25-19(23)27-20(26-18)24-16-7-5-15(22)6-8-16/h1-8,17H,9-12H2,(H3,23,24,25,26,27)
InChIKeyYWJWZLHIVBAROP-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.05
Rot. Bonds5

About 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 47027274) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID47027274
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCOC(c3ccc(F)cc3)C2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H20F2N6O/c21-14-3-1-13(2-4-14)17-11-28(9-10-29-17)12-18-25-19(23)27-20(26-18)24-16-7-5-15(22)6-8-16/h1-8,17H,9-12H2,(H3,23,24,25,26,27)
InChIKeyYWJWZLHIVBAROP-UHFFFAOYSA-N
XLogP3.05
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(4-fluorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 3163543
5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898617
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526559
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
2-N-(4-fluorophenyl)-6-[[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 56526018
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751685
(5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 40799359
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
CID 36875134
(5S)-1,3-bis[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 99665915
6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3163546

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 47027274) is 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(CN2CCOC(c3ccc(F)cc3)C2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YWJWZLHIVBAROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c21-14-3-1-13(2-4-14)17-11-28(9-10-29-17)12-18-25-19(23)27-20(26-18)24-16-7-5-15(22)6-8-16/h1-8,17H,9-12H2,(H3,23,24,25,26,27).
What are the key properties of 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 398.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 47027274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).