azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone

C18H19N5O2S — CID 142540078

IUPACazetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCCOc1ccc(CNc2nc(C(=O)N3CCC3)c3sccc3n2)cn1
InChIInChI=1S/C18H19N5O2S/c1-2-25-14-5-4-12(10-19-14)11-20-18-21-13-6-9-26-16(13)15(22-18)17(24)23-7-3-8-23/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,21,22)
InChIKeyWXBSUBFLSAQPCG-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.94
Rot. Bonds6

About azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone

azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 142540078) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID142540078
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Nameazetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCCOc1ccc(CNc2nc(C(=O)N3CCC3)c3sccc3n2)cn1
InChIInChI=1S/C18H19N5O2S/c1-2-25-14-5-4-12(10-19-14)11-20-18-21-13-6-9-26-16(13)15(22-18)17(24)23-7-3-8-23/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,21,22)
InChIKeyWXBSUBFLSAQPCG-UHFFFAOYSA-N
XLogP2.94
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide
CID 44528595
(5-Methylfuran-2-yl)(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
CID 46883109
(4-Methoxyphenyl)(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
CID 46883205
2-[(5-fluoro-3-pyridinyl)methylamino]-N-[(6-methoxy-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538576
2-[(3-fluorophenyl)methylamino]-N-[(6-methoxy-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538604
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-3-methoxybenzamide
CID 137538813
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]furan-3-carboxamide
CID 137539194
[2-[(5-Fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-(3-methoxyazetidin-1-yl)methanone
CID 137539262
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[3-(4-methoxyphenyl)propyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539301
N-[1-[2-[[(1S)-1-(5-fluoropyridin-3-yl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-5-(trifluoromethyl)furan-2-carboxamide
CID 137539397
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]oxane-4-carboxamide
CID 137539478
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]furan-3-carboxamide
CID 137539504

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone (CID 142540078) is azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone is CCOc1ccc(CNc2nc(C(=O)N3CCC3)c3sccc3n2)cn1.
What is the InChIKey of azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is WXBSUBFLSAQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-2-25-14-5-4-12(10-19-14)11-20-18-21-13-6-9-26-16(13)15(22-18)17(24)23-7-3-8-23/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,21,22).
What are the key properties of azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone?
azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 142540078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).