4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine

C20H24F2N6O2 — CID 121334418

IUPAC4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine
SMILESNc1cc(C(F)F)c(-c2cc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cn1
InChIInChI=1S/C20H24F2N6O2/c21-19(22)14-7-17(23)24-9-15(14)16-8-18(27-3-5-29-6-4-27)26-20(25-16)28-12-1-2-13(28)11-30-10-12/h7-9,12-13,19H,1-6,10-11H2,(H2,23,24)
InChIKeyFRKVOQMEDMGDSJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.26
Rot. Bonds4

About 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine

4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine (PubChem CID 121334418) has the molecular formula C20H24F2N6O2 and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine
PubChem CID121334418
Molecular FormulaC20H24F2N6O2
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Name4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine
SMILESNc1cc(C(F)F)c(-c2cc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cn1
InChIInChI=1S/C20H24F2N6O2/c21-19(22)14-7-17(23)24-9-15(14)16-8-18(27-3-5-29-6-4-27)26-20(25-16)28-12-1-2-13(28)11-30-10-12/h7-9,12-13,19H,1-6,10-11H2,(H2,23,24)
InChIKeyFRKVOQMEDMGDSJ-UHFFFAOYSA-N
XLogP2.26
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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-(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
8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 145403096
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-(3,3-dimethylmorpholin-4-yl)-6-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334387
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-[4,6-bis(6,6-difluoro-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334383
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334376
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 139520998
5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334408
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334411
4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 172825051

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 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) is 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine is Nc1cc(C(F)F)c(-c2cc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cn1.
What is the InChIKey of 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is FRKVOQMEDMGDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6O2/c21-19(22)14-7-17(23)24-9-15(14)16-8-18(27-3-5-29-6-4-27)26-20(25-16)28-12-1-2-13(28)11-30-10-12/h7-9,12-13,19H,1-6,10-11H2,(H2,23,24).
What are the key properties of 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine?
4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 418.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 121334418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).