4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile

C20H23FN6O — CID 73356614

IUPAC4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(c2ccccc2F)C2CCCCC2)n1
InChIInChI=1S/C20H23FN6O/c21-16-8-4-5-9-17(16)27(15-6-2-1-3-7-15)20-24-18(14-22)23-19(25-20)26-10-12-28-13-11-26/h4-5,8-9,15H,1-3,6-7,10-13H2
InChIKeyDVJXUQCIGVUWTD-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.19
Rot. Bonds4

About 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile

4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 73356614) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
PubChem CID73356614
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(c2ccccc2F)C2CCCCC2)n1
InChIInChI=1S/C20H23FN6O/c21-16-8-4-5-9-17(16)27(15-6-2-1-3-7-15)20-24-18(14-22)23-19(25-20)26-10-12-28-13-11-26/h4-5,8-9,15H,1-3,6-7,10-13H2
InChIKeyDVJXUQCIGVUWTD-UHFFFAOYSA-N
XLogP3.19
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile with MolForge

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
4,6-Bis[ethyl(phenyl)amino]-1,3,5-triazine-2-carbonitrile
CID 1505285
4-(Diphenylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 1201799
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
4-(diphenylamino)-N,N,N-trimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-aminium
CID 3513539
s-Triazine, 2-amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-
CID 210898
(4-Amino-6-morpholino-s-triazin-2-yl)-diphenyl-amine
CID 709348
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(3-fluoro-phenyl)-amine
CID 1074706
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158962
4-(3-Fluoroanilino)-6-(piperidin-4-ylamino)-1,3,5-triazine-2-carbonitrile
CID 145982578

Frequently Asked Questions

What is the IUPAC name of 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (CID 73356614) is 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N(c2ccccc2F)C2CCCCC2)n1.
What is the InChIKey of 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is DVJXUQCIGVUWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-16-8-4-5-9-17(16)27(15-6-2-1-3-7-15)20-24-18(14-22)23-19(25-20)26-10-12-28-13-11-26/h4-5,8-9,15H,1-3,6-7,10-13H2.
What are the key properties of 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 382.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 73356614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).