2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile

C20H23FN6O — CID 172903126

IUPAC2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2cccc(F)c2C#N)C1
InChIInChI=1S/C20H23FN6O/c1-25(19-5-7-23-20(24-19)26-9-11-28-12-10-26)15-6-8-27(14-15)18-4-2-3-17(21)16(18)13-22/h2-5,7,15H,6,8-12,14H2,1H3
InChIKeyLCUXYXMEUSBSKP-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.04
Rot. Bonds4

About 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile

2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile (PubChem CID 172903126) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
PubChem CID172903126
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2cccc(F)c2C#N)C1
InChIInChI=1S/C20H23FN6O/c1-25(19-5-7-23-20(24-19)26-9-11-28-12-10-26)15-6-8-27(14-15)18-4-2-3-17(21)16(18)13-22/h2-5,7,15H,6,8-12,14H2,1H3
InChIKeyLCUXYXMEUSBSKP-UHFFFAOYSA-N
XLogP2.04
TPSA68.52 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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903029
3-fluoro-2-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 175650017
2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 172903079
2-fluoro-4-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 172902087
N-methyl-N-[1-(6-methyl-2-pyridinyl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649208
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900137
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
3-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 172903109
N-[1-(6-cyclopropyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901980
5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172902390
N-methyl-2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901831

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile (CID 172903126) is 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile is CN(c1ccnc(N2CCOCC2)n1)C1CCN(c2cccc(F)c2C#N)C1.
What is the InChIKey of 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile?
The InChIKey is LCUXYXMEUSBSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-25(19-5-7-23-20(24-19)26-9-11-28-12-10-26)15-6-8-27(14-15)18-4-2-3-17(21)16(18)13-22/h2-5,7,15H,6,8-12,14H2,1H3.
What are the key properties of 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile?
2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile has a molecular weight of 382.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 172903126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).