2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

C104H85N25O7S6 — CID 160863800

IUPAC2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)cn1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccncn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ncccn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1
InChIInChI=1S/C19H19N5O2S.3C17H14N4OS.2C17H12N4OS/c1-11(2)8-26-15-5-4-12(6-20-15)13-9-27-17-16(13)22-18(23-19(17)25)14-7-24(3)10-21-14;2*1-10-4-3-5-11(6-10)12-8-23-15-14(12)19-16(20-17(15)22)13-7-21(2)9-18-13;1-10-4-3-5-11(8-10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-6-7-21(16)2;1-10-4-2-5-11(8-10)12-9-23-14-13(12)20-16(21-17(14)22)15-18-6-3-7-19-15;1-10-3-2-4-11(7-10)12-8-23-15-14(12)20-16(21-17(15)22)13-5-6-18-9-19-13/h4-7,9-11H,8H2,1-3H3,(H,22,23,25);3*3-9H,1-2H3,(H,19,20,22);2*2-9H,1H3,(H,20,21,22)
InChIKeySKVLHEFLNZEJSU-UHFFFAOYSA-N
MW1989.39 g/mol
LogP20.40
Rot. Bonds15

About 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 160863800) has the molecular formula C104H85N25O7S6 and a molecular weight of 1989.39 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID160863800
Molecular FormulaC104H85N25O7S6
Molecular Weight1989.39 g/mol
Exact Mass1987.54
IUPAC Name2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)cn1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccncn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ncccn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1
InChIInChI=1S/C19H19N5O2S.3C17H14N4OS.2C17H12N4OS/c1-11(2)8-26-15-5-4-12(6-20-15)13-9-27-17-16(13)22-18(23-19(17)25)14-7-24(3)10-21-14;2*1-10-4-3-5-11(6-10)12-8-23-15-14(12)19-16(20-17(15)22)13-7-21(2)9-18-13;1-10-4-3-5-11(8-10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-6-7-21(16)2;1-10-4-2-5-11(8-10)12-9-23-14-13(12)20-16(21-17(14)22)15-18-6-3-7-19-15;1-10-3-2-4-11(7-10)12-8-23-15-14(12)20-16(21-17(15)22)13-5-6-18-9-19-13/h4-7,9-11H,8H2,1-3H3,(H,22,23,25);3*3-9H,1-2H3,(H,19,20,22);2*2-9H,1H3,(H,20,21,22)
InChIKeySKVLHEFLNZEJSU-UHFFFAOYSA-N
XLogP20.40
TPSA419.46 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001989.39
LogP ≤ 520.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 159375710
8-(6-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(5-methyl-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyrimidin-5-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-8-[2-(trifluoromethyl)-4-pyridinyl]isoquinolin-1-one
CID 160516193
7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 161234040
7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 161269075
7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6-phenyl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 161385593
7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 161488082
N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide);6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
CID 90800952
2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429331
6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429371
2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429475
2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429479
2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 146521758

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 160863800) is 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)cn1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccncn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ncccn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SKVLHEFLNZEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S.3C17H14N4OS.2C17H12N4OS/c1-11(2)8-26-15-5-4-12(6-20-15)13-9-27-17-16(13)22-18(23-19(17)25)14-7-24(3)10-21-14;2*1-10-4-3-5-11(6-10)12-8-23-15-14(12)19-16(20-17(15)22)13-7-21(2)9-18-13;1-10-4-3-5-11(8-10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-6-7-21(16)2;1-10-4-2-5-11(8-10)12-9-23-14-13(12)20-16(21-17(14)22)15-18-6-3-7-19-15;1-10-3-2-4-11(7-10)12-8-23-15-14(12)20-16(21-17(15)22)13-5-6-18-9-19-13/h4-7,9-11H,8H2,1-3H3,(H,22,23,25);3*3-9H,1-2H3,(H,19,20,22);2*2-9H,1H3,(H,20,21,22).
What are the key properties of 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1989.39 g/mol, XLogP of 20.40, 15 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 160863800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).