[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone

C19H20FN5O2S — CID 151649892

IUPAC[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
SMILESCOC[C@@H]1CCN1C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12
InChIInChI=1S/C19H20FN5O2S/c1-11(12-7-13(20)9-21-8-12)22-19-23-15-4-6-28-17(15)16(24-19)18(26)25-5-3-14(25)10-27-2/h4,6-9,11,14H,3,5,10H2,1-2H3,(H,22,23,24)/t11-,14-/m0/s1
InChIKeyQUHIBISCIQERNL-FZMZJTMJSA-N
MW401.47 g/mol
LogP3.26
Rot. Bonds6

About [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone

[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone (PubChem CID 151649892) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
PubChem CID151649892
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC Name[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
SMILESCOC[C@@H]1CCN1C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12
InChIInChI=1S/C19H20FN5O2S/c1-11(12-7-13(20)9-21-8-12)22-19-23-15-4-6-28-17(15)16(24-19)18(26)25-5-3-14(25)10-27-2/h4,6-9,11,14H,3,5,10H2,1-2H3,(H,22,23,24)/t11-,14-/m0/s1
InChIKeyQUHIBISCIQERNL-FZMZJTMJSA-N
XLogP3.26
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone 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 [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone?
The IUPAC name of [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone (CID 151649892) is [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone is COC[C@@H]1CCN1C(=O)c1nc(N[C@@H](C)c2cncc(F)c2)nc2ccsc12.
What is the InChIKey of [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone?
The InChIKey is QUHIBISCIQERNL-FZMZJTMJSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-11(12-7-13(20)9-21-8-12)22-19-23-15-4-6-28-17(15)16(24-19)18(26)25-5-3-14(25)10-27-2/h4,6-9,11,14H,3,5,10H2,1-2H3,(H,22,23,24)/t11-,14-/m0/s1.
What are the key properties of [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone?
[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 151649892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).