5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

C21H24F2N6O2 — CID 118876397

IUPAC5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC4CCC3C4)n2)cc1OC(F)F
InChIInChI=1S/C21H24F2N6O2/c22-20(23)31-17-4-12(7-25-19(17)24)16-6-18(28-9-15-5-14(28)10-30-15)27-21(26-16)29-8-11-1-2-13(29)3-11/h4,6-7,11,13-15,20H,1-3,5,8-10H2,(H2,24,25)/t11?,13?,14-,15-/m1/s1
InChIKeyLTKPJUFJYQVZAM-UZVIJOLCSA-N
MW430.46 g/mol
LogP2.69
Rot. Bonds5

About 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 118876397) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID118876397
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC4CCC3C4)n2)cc1OC(F)F
InChIInChI=1S/C21H24F2N6O2/c22-20(23)31-17-4-12(7-25-19(17)24)16-6-18(28-9-15-5-14(28)10-30-15)27-21(26-16)29-8-11-1-2-13(29)3-11/h4,6-7,11,13-15,20H,1-3,5,8-10H2,(H2,24,25)/t11?,13?,14-,15-/m1/s1
InChIKeyLTKPJUFJYQVZAM-UZVIJOLCSA-N
XLogP2.69
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 118876397) is 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-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-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC4CCC3C4)n2)cc1OC(F)F.
What is the InChIKey of 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is LTKPJUFJYQVZAM-UZVIJOLCSA-N. The full InChI is InChI=1S/C21H24F2N6O2/c22-20(23)31-17-4-12(7-25-19(17)24)16-6-18(28-9-15-5-14(28)10-30-15)27-21(26-16)29-8-11-1-2-13(29)3-11/h4,6-7,11,13-15,20H,1-3,5,8-10H2,(H2,24,25)/t11?,13?,14-,15-/m1/s1.
What are the key properties of 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 430.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 118876397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).