8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

C19H22F2N6O2 — CID 145403096

IUPAC8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESFC(F)c1ncncc1-c1cc(N2CCOCC2)nc(N2C3CCC2COC3)n1
InChIInChI=1S/C19H22F2N6O2/c20-18(21)17-14(8-22-11-23-17)15-7-16(26-3-5-28-6-4-26)25-19(24-15)27-12-1-2-13(27)10-29-9-12/h7-8,11-13,18H,1-6,9-10H2
InChIKeyQJEKNULYGOWYIW-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.08
Rot. Bonds4

About 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 145403096) has the molecular formula C19H22F2N6O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID145403096
Molecular FormulaC19H22F2N6O2
Molecular Weight404.42 g/mol
Exact Mass404.18
IUPAC Name8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESFC(F)c1ncncc1-c1cc(N2CCOCC2)nc(N2C3CCC2COC3)n1
InChIInChI=1S/C19H22F2N6O2/c20-18(21)17-14(8-22-11-23-17)15-7-16(26-3-5-28-6-4-26)25-19(24-15)27-12-1-2-13(27)10-29-9-12/h7-8,11-13,18H,1-6,9-10H2
InChIKeyQJEKNULYGOWYIW-UHFFFAOYSA-N
XLogP2.08
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

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

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine
CID 121334418
5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 172744621
4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334515
4-[4-(4-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]morpholine
CID 174958810
4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
CID 158059249
4-(difluoromethyl)-5-[4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 175663159
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide
CID 162533296
4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 172825051
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine
CID 141432896

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 145403096) is 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane is FC(F)c1ncncc1-c1cc(N2CCOCC2)nc(N2C3CCC2COC3)n1.
What is the InChIKey of 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is QJEKNULYGOWYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O2/c20-18(21)17-14(8-22-11-23-17)15-7-16(26-3-5-28-6-4-26)25-19(24-15)27-12-1-2-13(27)10-29-9-12/h7-8,11-13,18H,1-6,9-10H2.
What are the key properties of 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 404.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 145403096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).