6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one — IUPAC name, SMILES, InChIKey & properties

Name: 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159663680) has the molecular formula C99H70ClN19O6S6 and a molecular weight of 1849.63 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name	6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID	159663680
Molecular Formula	C99H70ClN19O6S6
Molecular Weight	1849.63 g/mol
Exact Mass	1847.38
IUPAC Name	6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILES	Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)c(Cl)c1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)c1.Cn1ccnc1-c1nc2ccsc2c(=O)[nH]1.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3)sc12
InChI	InChI=1S/C18H12ClN3OS.3C18H13N3OS.C17H11N3OS.C10H8N4OS/c1-10-5-6-11(12(19)8-10)15-9-14-16(24-15)18(23)22-17(21-14)13-4-2-3-7-20-13;1-11-5-4-6-12(9-11)15-10-14-16(23-15)18(22)21-17(20-14)13-7-2-3-8-19-13;21-11-5-7-12(8-6-11)15-10-14-16(23-15)18(22)21-17(20-14)13-4-2-3-9-19-13;21-17-15-13(10-14(22-15)11-6-2-1-3-7-11)19-16(20-17)12-8-4-5-9-18-12;1-14-4-3-11-9(14)8-12-6-2-5-16-7(6)10(15)13-8/h2-9H,1H3,(H,21,22,23);32-10H,1H3,(H,20,21,22);1-10H,(H,19,20,21);2-5H,1H3,(H,12,13,15)
InChIKey	MTDCHOSAOZXBEZ-UHFFFAOYSA-N
XLogP	21.84
TPSA	356.77 Å²
H-Bond Donors	6
H-Bond Acceptors	25
Rotatable Bonds	11
Heavy Atoms	131
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1849.63
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159663680) is 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)c(Cl)c1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)c1.Cn1ccnc1-c1nc2ccsc2c(=O)[nH]1.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3)sc12.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is MTDCHOSAOZXBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS.3C18H13N3OS.C17H11N3OS.C10H8N4OS/c1-10-5-6-11(12(19)8-10)15-9-14-16(24-15)18(23)22-17(21-14)13-4-2-3-7-20-13;1-11-5-4-6-12(9-11)15-10-14-16(23-15)18(22)21-17(20-14)13-7-2-3-8-19-13;2*1-11-5-7-12(8-6-11)15-10-14-16(23-15)18(22)21-17(20-14)13-4-2-3-9-19-13;21-17-15-13(10-14(22-15)11-6-2-1-3-7-11)19-16(20-17)12-8-4-5-9-18-12;1-14-4-3-11-9(14)8-12-6-2-5-16-7(6)10(15)13-8/h2-9H,1H3,(H,21,22,23);3*2-10H,1H3,(H,20,21,22);1-10H,(H,19,20,21);2-5H,1H3,(H,12,13,15).

What are the key properties of 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159663680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).