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

C20H22N4OS — CID 150063343

IUPAC(5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(N3CC(c4ccccc4)C3)nc(NC34CC(C3)C4)c21
InChIInChI=1S/C20H22N4OS/c25-26-7-6-16-17(26)18(23-20-8-13(9-20)10-20)22-19(21-16)24-11-15(12-24)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,21,22,23)/t13?,20?,26-/m1/s1
InChIKeyDNTFEMDQAREWBU-AONGPRMVSA-N
MW366.49 g/mol
LogP2.71
Rot. Bonds4

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

(5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 150063343) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID150063343
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(N3CC(c4ccccc4)C3)nc(NC34CC(C3)C4)c21
InChIInChI=1S/C20H22N4OS/c25-26-7-6-16-17(26)18(23-20-8-13(9-20)10-20)22-19(21-16)24-11-15(12-24)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,21,22,23)/t13?,20?,26-/m1/s1
InChIKeyDNTFEMDQAREWBU-AONGPRMVSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of (5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 150063343) is (5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for (5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for (5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=[S@@]1CCc2nc(N3CC(c4ccccc4)C3)nc(NC34CC(C3)C4)c21.
What is the InChIKey of (5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DNTFEMDQAREWBU-AONGPRMVSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-26-7-6-16-17(26)18(23-20-8-13(9-20)10-20)22-19(21-16)24-11-15(12-24)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,21,22,23)/t13?,20?,26-/m1/s1.
What are the key properties of (5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
(5R)-N-(1-bicyclo[1.1.1]pentanyl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 366.49 g/mol, XLogP of 2.71, 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)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 150063343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).