2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile

C20H23FN6O — CID 172903079

IUPAC2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H23FN6O/c21-17-2-1-3-18(16(17)14-22)26-8-5-15(6-9-26)24-19-4-7-23-20(25-19)27-10-12-28-13-11-27/h1-4,7,15H,5-6,8-13H2,(H,23,24,25)
InChIKeyVIRFGONKMRHHSE-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.40
Rot. Bonds4

About 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile

2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile (PubChem CID 172903079) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
PubChem CID172903079
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H23FN6O/c21-17-2-1-3-18(16(17)14-22)26-8-5-15(6-9-26)24-19-4-7-23-20(25-19)27-10-12-28-13-11-27/h1-4,7,15H,5-6,8-13H2,(H,23,24,25)
InChIKeyVIRFGONKMRHHSE-UHFFFAOYSA-N
XLogP2.40
TPSA77.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172901289
2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903126
2-fluoro-6-[3-(pyrimidin-4-ylamino)pyrrolidin-1-yl]benzonitrile
CID 171996388
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 172903460
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648592
5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 172902500
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900091

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile (CID 172903079) is 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile is N#Cc1c(F)cccc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile?
The InChIKey is VIRFGONKMRHHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-17-2-1-3-18(16(17)14-22)26-8-5-15(6-9-26)24-19-4-7-23-20(25-19)27-10-12-28-13-11-27/h1-4,7,15H,5-6,8-13H2,(H,23,24,25).
What are the key properties of 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile?
2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile has a molecular weight of 382.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 172903079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).