4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine

C14H18FN5O2 — CID 123229043

IUPAC4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine
SMILESFc1nc(N2CCOCC2)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C14H18FN5O2/c15-14-17-12(19-4-7-21-8-5-19)11-13(18-14)20(9-16-11)10-3-1-2-6-22-10/h9-10H,1-8H2
InChIKeyRQEGSEUURXJYJR-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.50
Rot. Bonds2

About 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine

4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine (PubChem CID 123229043) has the molecular formula C14H18FN5O2 and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine
PubChem CID123229043
Molecular FormulaC14H18FN5O2
Molecular Weight307.33 g/mol
Exact Mass307.14
IUPAC Name4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine
SMILESFc1nc(N2CCOCC2)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C14H18FN5O2/c15-14-17-12(19-4-7-21-8-5-19)11-13(18-14)20(9-16-11)10-3-1-2-6-22-10/h9-10H,1-8H2
InChIKeyRQEGSEUURXJYJR-UHFFFAOYSA-N
XLogP1.50
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine?
The IUPAC name of 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine (CID 123229043) is 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine.
What is the SMILES notation for 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine?
The canonical SMILES for 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine is Fc1nc(N2CCOCC2)c2ncn(C3CCCCO3)c2n1.
What is the InChIKey of 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine?
The InChIKey is RQEGSEUURXJYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O2/c15-14-17-12(19-4-7-21-8-5-19)11-13(18-14)20(9-16-11)10-3-1-2-6-22-10/h9-10H,1-8H2.
What are the key properties of 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine?
4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine has a molecular weight of 307.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine is sourced from PubChem (CID 123229043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).