2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile

C17H16N4O2S2 — CID 8888264

IUPAC2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
SMILESN#CCn1c(CN2CCOCC2)nc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C17H16N4O2S2/c18-3-4-21-14(10-20-5-7-23-8-6-20)19-16-15(17(21)22)12(11-25-16)13-2-1-9-24-13/h1-2,9,11H,4-8,10H2
InChIKeyXSZKMASFPQROJW-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.54
Rot. Bonds4

About 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile

2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile (PubChem CID 8888264) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
PubChem CID8888264
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
SMILESN#CCn1c(CN2CCOCC2)nc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C17H16N4O2S2/c18-3-4-21-14(10-20-5-7-23-8-6-20)19-16-15(17(21)22)12(11-25-16)13-2-1-9-24-13/h1-2,9,11H,4-8,10H2
InChIKeyXSZKMASFPQROJW-UHFFFAOYSA-N
XLogP2.54
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile with MolForge

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Related Compounds

3-[[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile
CID 17409844
3-[2-(4-ethoxyphenoxy)ethyl]-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 17398602
2-[(4-methylpiperidin-1-yl)methyl]-3-[[(2S)-oxan-2-yl]methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 40799181
2-[(4-methylpiperidin-1-yl)methyl]-3-(oxan-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 17437421
2-[2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 4824578
2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide
CID 8883033
2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 124838131
2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40973177
4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 25489445
3-ethyl-2-piperazin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 39163694
3-(2-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28900124
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9196239

Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile (CID 8888264) is 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile is N#CCn1c(CN2CCOCC2)nc2scc(-c3cccs3)c2c1=O.
What is the InChIKey of 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The InChIKey is XSZKMASFPQROJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c18-3-4-21-14(10-20-5-7-23-8-6-20)19-16-15(17(21)22)12(11-25-16)13-2-1-9-24-13/h1-2,9,11H,4-8,10H2.
What are the key properties of 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile?
2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile has a molecular weight of 372.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile is sourced from PubChem (CID 8888264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).