cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate

C20H20N2O3S — CID 1075278

IUPACcyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
SMILESO=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)OC1CCCCC1
InChIInChI=1S/C20H20N2O3S/c23-17(25-15-9-5-2-6-10-15)11-22-13-21-19-18(20(22)24)16(12-26-19)14-7-3-1-4-8-14/h1,3-4,7-8,12-13,15H,2,5-6,9-11H2
InChIKeyHQRCEAUGNVRDJL-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.00
Rot. Bonds4

About cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate

cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate (PubChem CID 1075278) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
PubChem CID1075278
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Namecyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
SMILESO=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)OC1CCCCC1
InChIInChI=1S/C20H20N2O3S/c23-17(25-15-9-5-2-6-10-15)11-22-13-21-19-18(20(22)24)16(12-26-19)14-7-3-1-4-8-14/h1,3-4,7-8,12-13,15H,2,5-6,9-11H2
InChIKeyHQRCEAUGNVRDJL-UHFFFAOYSA-N
XLogP4.00
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl 2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 1404961
[(1R,3R)-3-methylcyclohexyl] 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 7747486
[(1S,3R)-3-methylcyclohexyl] 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 7747484
(3-methylcyclohexyl) 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 44641747
(4-methylcyclohexyl) 2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 1404934
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
[(1S)-2-oxocyclohexyl] 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 7984407
N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 24584696
(4-tert-butylcyclohexyl) 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 40915700
N-cycloheptyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7875432
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide
CID 30760368
2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide
CID 40823932

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate?
The IUPAC name of cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate (CID 1075278) is cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate?
The canonical SMILES for cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate is O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate?
The InChIKey is HQRCEAUGNVRDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-17(25-15-9-5-2-6-10-15)11-22-13-21-19-18(20(22)24)16(12-26-19)14-7-3-1-4-8-14/h1,3-4,7-8,12-13,15H,2,5-6,9-11H2.
What are the key properties of cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate?
cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate has a molecular weight of 368.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 1075278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).