5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile

C18H20BrN7O — CID 172902500

IUPAC5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H20BrN7O/c19-14-9-13(10-20)17(22-11-14)26-4-2-15(12-26)23-16-1-3-21-18(24-16)25-5-7-27-8-6-25/h1,3,9,11,15H,2,4-8,12H2,(H,21,23,24)
InChIKeyAIXAUAGDYFEAHI-UHFFFAOYSA-N
MW430.31 g/mol
LogP2.03
Rot. Bonds4

About 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile

5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 172902500) has the molecular formula C18H20BrN7O and a molecular weight of 430.31 g/mol. Its IUPAC name is 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID172902500
Molecular FormulaC18H20BrN7O
Molecular Weight430.31 g/mol
Exact Mass429.09
IUPAC Name5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H20BrN7O/c19-14-9-13(10-20)17(22-11-14)26-4-2-15(12-26)23-16-1-3-21-18(24-16)25-5-7-27-8-6-25/h1,3,9,11,15H,2,4-8,12H2,(H,21,23,24)
InChIKeyAIXAUAGDYFEAHI-UHFFFAOYSA-N
XLogP2.03
TPSA90.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172901289
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900765
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648592
N-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901782
5-chloro-4,6-dimethyl-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172902318
5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 76848485
N-(1-imidazo[1,2-a]pyrazin-8-ylpiperidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 172904241
2-fluoro-6-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 172903079
2-morpholin-4-yl-N-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 172899981
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 175650740
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 172903460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 172902500) is 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1cc(Br)cnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)C1.
What is the InChIKey of 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is AIXAUAGDYFEAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN7O/c19-14-9-13(10-20)17(22-11-14)26-4-2-15(12-26)23-16-1-3-21-18(24-16)25-5-7-27-8-6-25/h1,3,9,11,15H,2,4-8,12H2,(H,21,23,24).
What are the key properties of 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile?
5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 430.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 172902500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).