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

C20H24N4O2S — CID 150197774

IUPAC(5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(N3CC(c4ccccc4)C3)nc(NC3CCOCC3)c21
InChIInChI=1S/C20H24N4O2S/c25-27-11-8-17-18(27)19(21-16-6-9-26-10-7-16)23-20(22-17)24-12-15(13-24)14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,21,22,23)/t27-/m1/s1
InChIKeyFOUOOXWSBLZGDM-HHHXNRCGSA-N
MW384.51 g/mol
LogP2.34
Rot. Bonds4

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

(5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 150197774) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID150197774
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(N3CC(c4ccccc4)C3)nc(NC3CCOCC3)c21
InChIInChI=1S/C20H24N4O2S/c25-27-11-8-17-18(27)19(21-16-6-9-26-10-7-16)23-20(22-17)24-12-15(13-24)14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,21,22,23)/t27-/m1/s1
InChIKeyFOUOOXWSBLZGDM-HHHXNRCGSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 150197774) is (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=[S@@]1CCc2nc(N3CC(c4ccccc4)C3)nc(NC3CCOCC3)c21.
What is the InChIKey of (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FOUOOXWSBLZGDM-HHHXNRCGSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-27-11-8-17-18(27)19(21-16-6-9-26-10-7-16)23-20(22-17)24-12-15(13-24)14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,21,22,23)/t27-/m1/s1.
What are the key properties of (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
(5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 384.51 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(oxan-4-yl)-5-oxo-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 150197774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).