3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine

C15H15F2N5O2 — CID 146661830

IUPAC3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine
SMILESNc1ncc(N2CC3CC2CO3)c(-c2ccncn2)c1OC(F)F
InChIInChI=1S/C15H15F2N5O2/c16-15(17)24-13-12(10-1-2-19-7-21-10)11(4-20-14(13)18)22-5-9-3-8(22)6-23-9/h1-2,4,7-9,15H,3,5-6H2,(H2,18,20)
InChIKeyBPPFPEYQBSNHRI-UHFFFAOYSA-N
MW335.31 g/mol
LogP1.70
Rot. Bonds4

About 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine

3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine (PubChem CID 146661830) has the molecular formula C15H15F2N5O2 and a molecular weight of 335.31 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine
PubChem CID146661830
Molecular FormulaC15H15F2N5O2
Molecular Weight335.31 g/mol
Exact Mass335.12
IUPAC Name3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine
SMILESNc1ncc(N2CC3CC2CO3)c(-c2ccncn2)c1OC(F)F
InChIInChI=1S/C15H15F2N5O2/c16-15(17)24-13-12(10-1-2-19-7-21-10)11(4-20-14(13)18)22-5-9-3-8(22)6-23-9/h1-2,4,7-9,15H,3,5-6H2,(H2,18,20)
InChIKeyBPPFPEYQBSNHRI-UHFFFAOYSA-N
XLogP1.70
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine (CID 146661830) is 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine is Nc1ncc(N2CC3CC2CO3)c(-c2ccncn2)c1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine?
The InChIKey is BPPFPEYQBSNHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2/c16-15(17)24-13-12(10-1-2-19-7-21-10)11(4-20-14(13)18)22-5-9-3-8(22)6-23-9/h1-2,4,7-9,15H,3,5-6H2,(H2,18,20).
What are the key properties of 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine?
3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine has a molecular weight of 335.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyrimidin-4-ylpyridin-2-amine is sourced from PubChem (CID 146661830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).