7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C74H67BrN12O11S4 — CID 157388364

IUPAC7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)c1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.CC[C@H]1O[C@@H](c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[C@H](O)[C@@H]1O.Cc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1.Cc1ccc(COC[C@H]2O[C@@H](c3csc4c(=O)[nH]c(-c5ccccn5)nc34)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C24H23N3O5S.C18H13N3OS.C17H17N3O4S.C15H14BrN3OS/c1-13-5-7-14(8-6-13)10-31-11-17-19(28)20(29)21(32-17)15-12-33-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16;1-11-5-7-12(8-6-11)13-10-23-16-15(13)20-17(21-18(16)22)14-4-2-3-9-19-14;1-2-10-12(21)13(22)14(24-10)8-7-25-15-11(8)19-16(20-17(15)23)9-5-3-4-6-18-9;1-15(2,3)12-9(16)10-11(21-12)14(20)19-13(18-10)8-6-4-5-7-17-8/h2-9,12,17,19-21,28-29H,10-11H2,1H3,(H,26,27,30);2-10H,1H3,(H,20,21,22);3-7,10,12-14,21-22H,2H2,1H3,(H,19,20,23);4-7H,1-3H3,(H,18,19,20)/t17-,19-,20-,21+;;10-,12-,13-,14+;/m1.1./s1
InChIKeyBLRYKOBGEPYPLF-WULKPFOGSA-N
MW1508.59 g/mol
LogP12.48
Rot. Bonds12

About 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 157388364) has the molecular formula C74H67BrN12O11S4 and a molecular weight of 1508.59 g/mol. Its IUPAC name is 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID157388364
Molecular FormulaC74H67BrN12O11S4
Molecular Weight1508.59 g/mol
Exact Mass1506.31
IUPAC Name7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)c1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.CC[C@H]1O[C@@H](c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[C@H](O)[C@@H]1O.Cc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1.Cc1ccc(COC[C@H]2O[C@@H](c3csc4c(=O)[nH]c(-c5ccccn5)nc34)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C24H23N3O5S.C18H13N3OS.C17H17N3O4S.C15H14BrN3OS/c1-13-5-7-14(8-6-13)10-31-11-17-19(28)20(29)21(32-17)15-12-33-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16;1-11-5-7-12(8-6-11)13-10-23-16-15(13)20-17(21-18(16)22)14-4-2-3-9-19-14;1-2-10-12(21)13(22)14(24-10)8-7-25-15-11(8)19-16(20-17(15)23)9-5-3-4-6-18-9;1-15(2,3)12-9(16)10-11(21-12)14(20)19-13(18-10)8-6-4-5-7-17-8/h2-9,12,17,19-21,28-29H,10-11H2,1H3,(H,26,27,30);2-10H,1H3,(H,20,21,22);3-7,10,12-14,21-22H,2H2,1H3,(H,19,20,23);4-7H,1-3H3,(H,18,19,20)/t17-,19-,20-,21+;;10-,12-,13-,14+;/m1.1./s1
InChIKeyBLRYKOBGEPYPLF-WULKPFOGSA-N
XLogP12.48
TPSA343.17 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001508.59
LogP ≤ 512.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157289836
7-bromo-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157509156
7-bromo-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2R,3S,4R,5S)-2-ethyl-5-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)oxolane-3,4-diol;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157888589
7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 161781914
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157388365

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 157388364) is 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)(C)c1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.CC[C@H]1O[C@@H](c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[C@H](O)[C@@H]1O.Cc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1.Cc1ccc(COC[C@H]2O[C@@H](c3csc4c(=O)[nH]c(-c5ccccn5)nc34)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is BLRYKOBGEPYPLF-WULKPFOGSA-N. The full InChI is InChI=1S/C24H23N3O5S.C18H13N3OS.C17H17N3O4S.C15H14BrN3OS/c1-13-5-7-14(8-6-13)10-31-11-17-19(28)20(29)21(32-17)15-12-33-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16;1-11-5-7-12(8-6-11)13-10-23-16-15(13)20-17(21-18(16)22)14-4-2-3-9-19-14;1-2-10-12(21)13(22)14(24-10)8-7-25-15-11(8)19-16(20-17(15)23)9-5-3-4-6-18-9;1-15(2,3)12-9(16)10-11(21-12)14(20)19-13(18-10)8-6-4-5-7-17-8/h2-9,12,17,19-21,28-29H,10-11H2,1H3,(H,26,27,30);2-10H,1H3,(H,20,21,22);3-7,10,12-14,21-22H,2H2,1H3,(H,19,20,23);4-7H,1-3H3,(H,18,19,20)/t17-,19-,20-,21+;;10-,12-,13-,14+;/m1.1./s1.
What are the key properties of 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1508.59 g/mol, XLogP of 12.48, 12 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(4-methylphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 157388364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).