1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone

C20H14ClN3O2S — CID 118720386

IUPAC1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone
SMILESCOc1ccc(-c2nc(CC(=O)c3cccc(Cl)c3)nc3ccsc23)cn1
InChIInChI=1S/C20H14ClN3O2S/c1-26-18-6-5-13(11-22-18)19-20-15(7-8-27-20)23-17(24-19)10-16(25)12-3-2-4-14(21)9-12/h2-9,11H,10H2,1H3
InChIKeyLSUQURQNBHDPOG-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.84
Rot. Bonds5

About 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone

1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone (PubChem CID 118720386) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone
PubChem CID118720386
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC Name1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone
SMILESCOc1ccc(-c2nc(CC(=O)c3cccc(Cl)c3)nc3ccsc23)cn1
InChIInChI=1S/C20H14ClN3O2S/c1-26-18-6-5-13(11-22-18)19-20-15(7-8-27-20)23-17(24-19)10-16(25)12-3-2-4-14(21)9-12/h2-9,11H,10H2,1H3
InChIKeyLSUQURQNBHDPOG-UHFFFAOYSA-N
XLogP4.84
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Methoxyphenyl)(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
CID 46883205
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720097
2-(3-Chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720380
2-[(3-Chlorophenyl)sulfinylmethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720382
2-[(3-Chlorophenyl)sulfanylmethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720383
3-chloro-N-[[4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline
CID 118720388
2-[(3-Chlorophenoxy)methyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720389
2-[1-(3-Chlorophenyl)sulfonylcyclopropyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720390
2-[1-(3-Chlorophenyl)sulfonylethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720391
2-[(3-Chlorophenyl)sulfonyl-fluoro-methyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720392
2-[(3-Chlorophenyl)sulfonyl-difluoro-methyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720393
2-[(2,5-Dichlorophenyl)sulfanylmethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720395

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone (CID 118720386) is 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone is COc1ccc(-c2nc(CC(=O)c3cccc(Cl)c3)nc3ccsc23)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone?
The InChIKey is LSUQURQNBHDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c1-26-18-6-5-13(11-22-18)19-20-15(7-8-27-20)23-17(24-19)10-16(25)12-3-2-4-14(21)9-12/h2-9,11H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone?
1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone has a molecular weight of 395.87 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]ethanone is sourced from PubChem (CID 118720386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).