5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

C17H19F3N6O — CID 123851386

IUPAC5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CCC3)nc(N3CCC(F)C3)n2)cc1OC(F)F
InChIInChI=1S/C17H19F3N6O/c18-11-2-5-26(9-11)17-23-12(7-14(24-17)25-3-1-4-25)10-6-13(27-16(19)20)15(21)22-8-10/h6-8,11,16H,1-5,9H2,(H2,21,22)
InChIKeyVRUKRUKFGCHIMX-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.48
Rot. Bonds5

About 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123851386) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID123851386
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC Name5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CCC3)nc(N3CCC(F)C3)n2)cc1OC(F)F
InChIInChI=1S/C17H19F3N6O/c18-11-2-5-26(9-11)17-23-12(7-14(24-17)25-3-1-4-25)10-6-13(27-16(19)20)15(21)22-8-10/h6-8,11,16H,1-5,9H2,(H2,21,22)
InChIKeyVRUKRUKFGCHIMX-UHFFFAOYSA-N
XLogP2.48
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 123851386) is 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(N3CCC3)nc(N3CCC(F)C3)n2)cc1OC(F)F.
What is the InChIKey of 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is VRUKRUKFGCHIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c18-11-2-5-26(9-11)17-23-12(7-14(24-17)25-3-1-4-25)10-6-13(27-16(19)20)15(21)22-8-10/h6-8,11,16H,1-5,9H2,(H2,21,22).
What are the key properties of 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 380.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123851386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).