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

C52H54N12O4S3 — CID 161260737

About 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-[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 161260737) has the molecular formula C52H54N12O4S3 and a molecular weight of 1007.28 g/mol. Its IUPAC name is 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-[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: 161260737
• Molecular Formula: C52H54N12O4S3
• Molecular Weight: 1007.28 g/mol
• Exact Mass: 1006.36
• IUPAC Name: 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(N2CCNCC2)nc2c(-c3ccccc3)csc12
• InChI: InChI=1S/C18H18N4O2S.C18H20N4OS.C16H16N4OS/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/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)
• InChIKey: VCMYRBFUVJTRDJ-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 201.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.28
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 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-[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 161260737) is 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-[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-[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(N2CCNCC2)nc2c(-c3ccccc3)csc12.

What is the InChIKey of 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 VCMYRBFUVJTRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S.C18H20N4OS.C16H16N4OS/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/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).

What are the key properties of 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-[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 1007.28 g/mol, XLogP of 8.26, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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 161260737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).