3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine

C19H22ClFN6O — CID 123886956

IUPAC3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine
SMILESCC1(F)CCN(c2nc(-c3cnc(N)c(Cl)c3)cc(N3CC4CC3CO4)n2)C1
InChIInChI=1S/C19H22ClFN6O/c1-19(21)2-3-26(10-19)18-24-15(11-4-14(20)17(22)23-7-11)6-16(25-18)27-8-13-5-12(27)9-28-13/h4,6-7,12-13H,2-3,5,8-10H2,1H3,(H2,22,23)
InChIKeyPXOFSLFDXMONKN-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.69
Rot. Bonds3

About 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine

3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine (PubChem CID 123886956) has the molecular formula C19H22ClFN6O and a molecular weight of 404.88 g/mol. Its IUPAC name is 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine
PubChem CID123886956
Molecular FormulaC19H22ClFN6O
Molecular Weight404.88 g/mol
Exact Mass404.15
IUPAC Name3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine
SMILESCC1(F)CCN(c2nc(-c3cnc(N)c(Cl)c3)cc(N3CC4CC3CO4)n2)C1
InChIInChI=1S/C19H22ClFN6O/c1-19(21)2-3-26(10-19)18-24-15(11-4-14(20)17(22)23-7-11)6-16(25-18)27-8-13-5-12(27)9-28-13/h4,6-7,12-13H,2-3,5,8-10H2,1H3,(H2,22,23)
InChIKeyPXOFSLFDXMONKN-UHFFFAOYSA-N
XLogP2.69
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine with MolForge

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Related Compounds

4-Chloro-5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-2-pyridinamine
CID 59507602
4-N-[5-chloro-4-[6-[[(2R)-oxolan-2-yl]methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405537
4-N-[5-chloro-4-[6-[[(2S)-oxolan-2-yl]methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405540
5-{[(2-Chloro-benzyl)-methyl-amino]-methyl}-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10939284
2-Amino-4-(trifluoromethyl)-5-[2-[3beta,6beta-methanomorpholine-4-yl]-4-morpholinopyrimidine-6-yl]pyridine
CID 132597755
4-(2-aminopyrimidin-5-yl)-N,N-diethyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-2-amine
CID 86302748
5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-piperidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 86302749
2-(azetidin-1-yl)-6-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-[4,5'-bipyrimidin]-2'-amine
CID 86302751
5-[2-[(3aS,6aR)-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 86302908
5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 86302909
5-[2-(3,3-difluoroazetidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 86302910
5-[2-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 86302911

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine (CID 123886956) is 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine is CC1(F)CCN(c2nc(-c3cnc(N)c(Cl)c3)cc(N3CC4CC3CO4)n2)C1.
What is the InChIKey of 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is PXOFSLFDXMONKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN6O/c1-19(21)2-3-26(10-19)18-24-15(11-4-14(20)17(22)23-7-11)6-16(25-18)27-8-13-5-12(27)9-28-13/h4,6-7,12-13H,2-3,5,8-10H2,1H3,(H2,22,23).
What are the key properties of 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine?
3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 404.88 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 123886956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).