5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

C20H22F2N6O2 — CID 123912970

IUPAC5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CC4CC3CO4)nc(N3CC4CC4C3)n2)cc1OC(F)F
InChIInChI=1S/C20H22F2N6O2/c21-19(22)30-16-2-10(5-24-18(16)23)15-4-17(28-8-14-3-13(28)9-29-14)26-20(25-15)27-6-11-1-12(11)7-27/h2,4-5,11-14,19H,1,3,6-9H2,(H2,23,24)
InChIKeyMUKLFHZULONXOZ-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.16
Rot. Bonds5

About 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123912970) has the molecular formula C20H22F2N6O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID123912970
Molecular FormulaC20H22F2N6O2
Molecular Weight416.43 g/mol
Exact Mass416.18
IUPAC Name5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CC4CC3CO4)nc(N3CC4CC4C3)n2)cc1OC(F)F
InChIInChI=1S/C20H22F2N6O2/c21-19(22)30-16-2-10(5-24-18(16)23)15-4-17(28-8-14-3-13(28)9-29-14)26-20(25-15)27-6-11-1-12(11)7-27/h2,4-5,11-14,19H,1,3,6-9H2,(H2,23,24)
InChIKeyMUKLFHZULONXOZ-UHFFFAOYSA-N
XLogP2.16
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 123912970) is 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(N3CC4CC3CO4)nc(N3CC4CC4C3)n2)cc1OC(F)F.
What is the InChIKey of 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is MUKLFHZULONXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O2/c21-19(22)30-16-2-10(5-24-18(16)23)15-4-17(28-8-14-3-13(28)9-29-14)26-20(25-15)27-6-11-1-12(11)7-27/h2,4-5,11-14,19H,1,3,6-9H2,(H2,23,24).
What are the key properties of 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 416.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123912970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).