(5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C20H23FN4O3S — CID 150746871

IUPAC(5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(N3CC(Oc4ccc(F)cc4)C3)nc(NC3CCOCC3)c21
InChIInChI=1S/C20H23FN4O3S/c21-13-1-3-15(4-2-13)28-16-11-25(12-16)20-23-17-7-10-29(26)18(17)19(24-20)22-14-5-8-27-9-6-14/h1-4,14,16H,5-12H2,(H,22,23,24)/t29-/m1/s1
InChIKeyJVAPDAPCHBQTBT-GDLZYMKVSA-N
MW418.49 g/mol
LogP2.14
Rot. Bonds5

About (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

(5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 150746871) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID150746871
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name(5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(N3CC(Oc4ccc(F)cc4)C3)nc(NC3CCOCC3)c21
InChIInChI=1S/C20H23FN4O3S/c21-13-1-3-15(4-2-13)28-16-11-25(12-16)20-23-17-7-10-29(26)18(17)19(24-20)22-14-5-8-27-9-6-14/h1-4,14,16H,5-12H2,(H,22,23,24)/t29-/m1/s1
InChIKeyJVAPDAPCHBQTBT-GDLZYMKVSA-N
XLogP2.14
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 150746871) is (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=[S@@]1CCc2nc(N3CC(Oc4ccc(F)cc4)C3)nc(NC3CCOCC3)c21.
What is the InChIKey of (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JVAPDAPCHBQTBT-GDLZYMKVSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c21-13-1-3-15(4-2-13)28-16-11-25(12-16)20-23-17-7-10-29(26)18(17)19(24-20)22-14-5-8-27-9-6-14/h1-4,14,16H,5-12H2,(H,22,23,24)/t29-/m1/s1.
What are the key properties of (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
(5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 418.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 150746871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).