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

C14H14FN5O — CID 146661826

IUPAC5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine
SMILESNc1ncc(F)c(N2CC3CC2CO3)c1-c1ccncn1
InChIInChI=1S/C14H14FN5O/c15-10-4-18-14(16)12(11-1-2-17-7-19-11)13(10)20-5-9-3-8(20)6-21-9/h1-2,4,7-9H,3,5-6H2,(H2,16,18)
InChIKeyRQHVRRDHNZDPOJ-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.24
Rot. Bonds2

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

5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine (PubChem CID 146661826) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine
PubChem CID146661826
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine
SMILESNc1ncc(F)c(N2CC3CC2CO3)c1-c1ccncn1
InChIInChI=1S/C14H14FN5O/c15-10-4-18-14(16)12(11-1-2-17-7-19-11)13(10)20-5-9-3-8(20)6-21-9/h1-2,4,7-9H,3,5-6H2,(H2,16,18)
InChIKeyRQHVRRDHNZDPOJ-UHFFFAOYSA-N
XLogP1.24
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine?
The IUPAC name of 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine (CID 146661826) is 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine is Nc1ncc(F)c(N2CC3CC2CO3)c1-c1ccncn1.
What is the InChIKey of 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine?
The InChIKey is RQHVRRDHNZDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c15-10-4-18-14(16)12(11-1-2-17-7-19-11)13(10)20-5-9-3-8(20)6-21-9/h1-2,4,7-9H,3,5-6H2,(H2,16,18).
What are the key properties of 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine?
5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine has a molecular weight of 287.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyrimidin-4-ylpyridin-2-amine is sourced from PubChem (CID 146661826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).