3-fluoro-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

C19H22F2N6O — CID 123336112

IUPAC3-fluoro-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(F)c3)cc(N3CC4CC3CO4)n2)C1
InChIInChI=1S/C19H22F2N6O/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)
InChIKeyPYFZRCPCUIVIOU-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.18
Rot. Bonds3

About 3-fluoro-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-fluoro-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 123336112) has the molecular formula C19H22F2N6O and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-fluoro-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-fluoro-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 CID123336112
Molecular FormulaC19H22F2N6O
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Name3-fluoro-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(F)c3)cc(N3CC4CC3CO4)n2)C1
InChIInChI=1S/C19H22F2N6O/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)
InChIKeyPYFZRCPCUIVIOU-UHFFFAOYSA-N
XLogP2.18
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-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-fluoro-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 123336112) is 3-fluoro-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-fluoro-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-fluoro-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(F)c3)cc(N3CC4CC3CO4)n2)C1.
What is the InChIKey of 3-fluoro-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 PYFZRCPCUIVIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O/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-fluoro-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-fluoro-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 388.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-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 123336112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).