azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane

C17H20N6OS — CID 142540478

IUPACazetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
SMILESCC.O=C(c1nc(NCc2cnccn2)nc2ccsc12)N1CCC1
InChIInChI=1S/C15H14N6OS.C2H6/c22-14(21-5-1-6-21)12-13-11(2-7-23-13)19-15(20-12)18-9-10-8-16-3-4-17-10;1-2/h2-4,7-8H,1,5-6,9H2,(H,18,19,20);1-2H3
InChIKeySBWZDIJPGBQNDM-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.97
Rot. Bonds4

About azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane

azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane (PubChem CID 142540478) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane.

Molecular Properties

Compound Nameazetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
PubChem CID142540478
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Nameazetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
SMILESCC.O=C(c1nc(NCc2cnccn2)nc2ccsc12)N1CCC1
InChIInChI=1S/C15H14N6OS.C2H6/c22-14(21-5-1-6-21)12-13-11(2-7-23-13)19-15(20-12)18-9-10-8-16-3-4-17-10;1-2/h2-4,7-8H,1,5-6,9H2,(H,18,19,20);1-2H3
InChIKeySBWZDIJPGBQNDM-UHFFFAOYSA-N
XLogP2.97
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-cyclohexa-1,5-dien-1-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540229
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540416
azetidin-1-yl-[2-[[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 142540064
methyl 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
CID 68774317
ethane;N-[(3R)-1-[2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 142540327
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772018
N-ethyl-4-pyrazin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 112750376
N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772561
azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
CID 142540212
(3-methylsulfonylpyrrolidin-1-yl)-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 166978540
ethane;1-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 142540161

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane?
The IUPAC name of azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane (CID 142540478) is azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane.
What is the SMILES notation for azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane?
The canonical SMILES for azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane is CC.O=C(c1nc(NCc2cnccn2)nc2ccsc12)N1CCC1.
What is the InChIKey of azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane?
The InChIKey is SBWZDIJPGBQNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS.C2H6/c22-14(21-5-1-6-21)12-13-11(2-7-23-13)19-15(20-12)18-9-10-8-16-3-4-17-10;1-2/h2-4,7-8H,1,5-6,9H2,(H,18,19,20);1-2H3.
What are the key properties of azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane?
azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane has a molecular weight of 356.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[2-(pyrazin-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone;ethane is sourced from PubChem (CID 142540478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).