(5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C20H21FN4OS — CID 151051254

IUPAC(5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(N3CC(c4ccc(F)cc4)C3)nc(NC34CC(C3)C4)c21
InChIInChI=1S/C20H21FN4OS/c21-15-3-1-13(2-4-15)14-10-25(11-14)19-22-16-5-6-27(26)17(16)18(23-19)24-20-7-12(8-20)9-20/h1-4,12,14H,5-11H2,(H,22,23,24)/t12?,20?,27-/m1/s1
InChIKeyMEEBONWADMVWDS-AYBDQZGFSA-N
MW384.48 g/mol
LogP2.85
Rot. Bonds4

About (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

(5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 151051254) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID151051254
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name(5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(N3CC(c4ccc(F)cc4)C3)nc(NC34CC(C3)C4)c21
InChIInChI=1S/C20H21FN4OS/c21-15-3-1-13(2-4-15)14-10-25(11-14)19-22-16-5-6-27(26)17(16)18(23-19)24-20-7-12(8-20)9-20/h1-4,12,14H,5-11H2,(H,22,23,24)/t12?,20?,27-/m1/s1
InChIKeyMEEBONWADMVWDS-AYBDQZGFSA-N
XLogP2.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-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 (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 151051254) is (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=[S@@]1CCc2nc(N3CC(c4ccc(F)cc4)C3)nc(NC34CC(C3)C4)c21.
What is the InChIKey of (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MEEBONWADMVWDS-AYBDQZGFSA-N. The full InChI is InChI=1S/C20H21FN4OS/c21-15-3-1-13(2-4-15)14-10-25(11-14)19-22-16-5-6-27(26)17(16)18(23-19)24-20-7-12(8-20)9-20/h1-4,12,14H,5-11H2,(H,22,23,24)/t12?,20?,27-/m1/s1.
What are the key properties of (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
(5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 384.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(1-bicyclo[1.1.1]pentanyl)-2-[3-(4-fluorophenyl)azetidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 151051254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).