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

C18H19F2N5O2 — CID 123252960

IUPAC5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CC4CC3CO4)nc(C3CC3)n2)cc1OC(F)F
InChIInChI=1S/C18H19F2N5O2/c19-18(20)27-14-3-10(6-22-16(14)21)13-5-15(24-17(23-13)9-1-2-9)25-7-12-4-11(25)8-26-12/h3,5-6,9,11-12,18H,1-2,4,7-8H2,(H2,21,22)
InChIKeyIGXYHDIJEATECN-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.58
Rot. Bonds5

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

5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123252960) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID123252960
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CC4CC3CO4)nc(C3CC3)n2)cc1OC(F)F
InChIInChI=1S/C18H19F2N5O2/c19-18(20)27-14-3-10(6-22-16(14)21)13-5-15(24-17(23-13)9-1-2-9)25-7-12-4-11(25)8-26-12/h3,5-6,9,11-12,18H,1-2,4,7-8H2,(H2,21,22)
InChIKeyIGXYHDIJEATECN-UHFFFAOYSA-N
XLogP2.58
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-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-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 123252960) is 5-[2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(N3CC4CC3CO4)nc(C3CC3)n2)cc1OC(F)F.
What is the InChIKey of 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is IGXYHDIJEATECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c19-18(20)27-14-3-10(6-22-16(14)21)13-5-15(24-17(23-13)9-1-2-9)25-7-12-4-11(25)8-26-12/h3,5-6,9,11-12,18H,1-2,4,7-8H2,(H2,21,22).
What are the key properties of 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 375.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123252960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).