2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one

C63H60BrN15O5S4 — CID 158043595

About 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one

2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 158043595) has the molecular formula C63H60BrN15O5S4 and a molecular weight of 1315.44 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 158043595
• Molecular Formula: C63H60BrN15O5S4
• Molecular Weight: 1315.44 g/mol
• Exact Mass: 1313.30
• IUPAC Name: 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC1CCN(C(=O)c2ccnc(-c3nc4ccsc4c(=O)[nH]3)c2)CC1.CC1CCN(Cc2ccnc(-c3nc4ccsc4c(=O)[nH]3)c2)CC1.O=c1[nH]c(-c2ccc(Br)cn2)nc2ccsc12.O=c1[nH]c(N2CCNCC2)nc2c(-c3ccccc3)csc12
• InChI: InChI=1S/C18H18N4O2S.C18H20N4OS.C16H16N4OS.C11H6BrN3OS/c1-11-3-7-22(8-4-11)18(24)12-2-6-19-14(10-12)16-20-13-5-9-25-15(13)17(23)21-16;1-12-3-7-22(8-4-12)11-13-2-6-19-15(10-13)17-20-14-5-9-24-16(14)18(23)21-17;21-15-14-13(12(10-22-14)11-4-2-1-3-5-11)18-16(19-15)20-8-6-17-7-9-20;12-6-1-2-8(13-5-6)10-14-7-3-4-17-9(7)11(16)15-10/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,20,21,23);2,5-6,9-10,12H,3-4,7-8,11H2,1H3,(H,20,21,23);1-5,10,17H,6-9H2,(H,18,19,21);1-5H,(H,14,15,16)
• InChIKey: FIQLBSCVDMQUCZ-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 260.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.44
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 158043595) is 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC1CCN(C(=O)c2ccnc(-c3nc4ccsc4c(=O)[nH]3)c2)CC1.CC1CCN(Cc2ccnc(-c3nc4ccsc4c(=O)[nH]3)c2)CC1.O=c1[nH]c(-c2ccc(Br)cn2)nc2ccsc12.O=c1[nH]c(N2CCNCC2)nc2c(-c3ccccc3)csc12.

What is the InChIKey of 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is FIQLBSCVDMQUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S.C18H20N4OS.C16H16N4OS.C11H6BrN3OS/c1-11-3-7-22(8-4-11)18(24)12-2-6-19-14(10-12)16-20-13-5-9-25-15(13)17(23)21-16;1-12-3-7-22(8-4-12)11-13-2-6-19-15(10-13)17-20-14-5-9-24-16(14)18(23)21-17;21-15-14-13(12(10-22-14)11-4-2-1-3-5-11)18-16(19-15)20-8-6-17-7-9-20;12-6-1-2-8(13-5-6)10-14-7-3-4-17-9(7)11(16)15-10/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,20,21,23);2,5-6,9-10,12H,3-4,7-8,11H2,1H3,(H,20,21,23);1-5,10,17H,6-9H2,(H,18,19,21);1-5H,(H,14,15,16).

What are the key properties of 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one?

2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1315.44 g/mol, XLogP of 11.07, 8 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-2-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-phenyl-2-piperazin-1-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158043595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).