7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C121H112N26O9S6 — CID 157353164

IUPAC7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cccc(CN2CCN(C(=O)c3c(C)sc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1C.Nc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)n1.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCCC3)csc12
InChIInChI=1S/C25H25N5O2S.C24H23N5O2S.C23H21N5O2S.C17H17N3OS.C16H11N5OS.C16H15N3OS/c1-16-6-5-7-18(14-16)15-29-10-12-30(13-11-29)25(32)20-17(2)33-22-21(20)27-23(28-24(22)31)19-8-3-4-9-26-19;1-15-14-28(17-8-4-3-5-9-17)12-13-29(15)24(31)19-16(2)32-21-20(19)26-22(27-23(21)30)18-10-6-7-11-25-18;1-15-18(23(30)28-13-11-27(12-14-28)16-7-3-2-4-8-16)19-20(31-15)22(29)26-21(25-19)17-9-5-6-10-24-17;21-17-15-14(12(10-22-15)11-6-2-1-3-7-11)19-16(20-17)13-8-4-5-9-18-13;17-12-6-3-5-10(19-12)9-8-23-14-13(9)20-15(21-16(14)22)11-4-1-2-7-18-11;20-16-14-13(11(9-21-14)10-5-1-2-6-10)18-15(19-16)12-7-3-4-8-17-12/h3-9,14H,10-13,15H2,1-2H3,(H,27,28,31);3-11,15H,12-14H2,1-2H3,(H,26,27,30);2-10H,11-14H2,1H3,(H,25,26,29);4-5,8-11H,1-3,6-7H2,(H,19,20,21);1-8H,(H2,17,19)(H,20,21,22);3-4,7-10H,1-2,5-6H2,(H,18,19,20)
InChIKeyBHTQZEUEOLAUJK-UHFFFAOYSA-N
MW2266.80 g/mol
LogP21.13
Rot. Bonds16

About 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 157353164) has the molecular formula C121H112N26O9S6 and a molecular weight of 2266.80 g/mol. Its IUPAC name is 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID157353164
Molecular FormulaC121H112N26O9S6
Molecular Weight2266.80 g/mol
Exact Mass2264.74
IUPAC Name7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cccc(CN2CCN(C(=O)c3c(C)sc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1C.Nc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)n1.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCCC3)csc12
InChIInChI=1S/C25H25N5O2S.C24H23N5O2S.C23H21N5O2S.C17H17N3OS.C16H11N5OS.C16H15N3OS/c1-16-6-5-7-18(14-16)15-29-10-12-30(13-11-29)25(32)20-17(2)33-22-21(20)27-23(28-24(22)31)19-8-3-4-9-26-19;1-15-14-28(17-8-4-3-5-9-17)12-13-29(15)24(31)19-16(2)32-21-20(19)26-22(27-23(21)30)18-10-6-7-11-25-18;1-15-18(23(30)28-13-11-27(12-14-28)16-7-3-2-4-8-16)19-20(31-15)22(29)26-21(25-19)17-9-5-6-10-24-17;21-17-15-14(12(10-22-15)11-6-2-1-3-7-11)19-16(20-17)13-8-4-5-9-18-13;17-12-6-3-5-10(19-12)9-8-23-14-13(9)20-15(21-16(14)22)11-4-1-2-7-18-11;20-16-14-13(11(9-21-14)10-5-1-2-6-10)18-15(19-16)12-7-3-4-8-17-12/h3-9,14H,10-13,15H2,1-2H3,(H,27,28,31);3-11,15H,12-14H2,1-2H3,(H,26,27,30);2-10H,11-14H2,1H3,(H,25,26,29);4-5,8-11H,1-3,6-7H2,(H,19,20,21);1-8H,(H2,17,19)(H,20,21,22);3-4,7-10H,1-2,5-6H2,(H,18,19,20)
InChIKeyBHTQZEUEOLAUJK-UHFFFAOYSA-N
XLogP21.13
TPSA461.40 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002266.80
LogP ≤ 521.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-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 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 157353164) is 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1cccc(CN2CCN(C(=O)c3c(C)sc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)N1CCN(c2ccccc2)CC1C.Nc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)n1.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCCC3)csc12.
What is the InChIKey of 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is BHTQZEUEOLAUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S.C24H23N5O2S.C23H21N5O2S.C17H17N3OS.C16H11N5OS.C16H15N3OS/c1-16-6-5-7-18(14-16)15-29-10-12-30(13-11-29)25(32)20-17(2)33-22-21(20)27-23(28-24(22)31)19-8-3-4-9-26-19;1-15-14-28(17-8-4-3-5-9-17)12-13-29(15)24(31)19-16(2)32-21-20(19)26-22(27-23(21)30)18-10-6-7-11-25-18;1-15-18(23(30)28-13-11-27(12-14-28)16-7-3-2-4-8-16)19-20(31-15)22(29)26-21(25-19)17-9-5-6-10-24-17;21-17-15-14(12(10-22-15)11-6-2-1-3-7-11)19-16(20-17)13-8-4-5-9-18-13;17-12-6-3-5-10(19-12)9-8-23-14-13(9)20-15(21-16(14)22)11-4-1-2-7-18-11;20-16-14-13(11(9-21-14)10-5-1-2-6-10)18-15(19-16)12-7-3-4-8-17-12/h3-9,14H,10-13,15H2,1-2H3,(H,27,28,31);3-11,15H,12-14H2,1-2H3,(H,26,27,30);2-10H,11-14H2,1H3,(H,25,26,29);4-5,8-11H,1-3,6-7H2,(H,19,20,21);1-8H,(H2,17,19)(H,20,21,22);3-4,7-10H,1-2,5-6H2,(H,18,19,20).
What are the key properties of 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2266.80 g/mol, XLogP of 21.13, 16 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 157353164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).