2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane

C35H35ClF2N8O2S2 — CID 159404771

About 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane

2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (PubChem CID 159404771) has the molecular formula C35H35ClF2N8O2S2 and a molecular weight of 737.30 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.

Molecular Properties

• Compound Name: 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
• PubChem CID: 159404771
• Molecular Formula: C35H35ClF2N8O2S2
• Molecular Weight: 737.30 g/mol
• Exact Mass: 736.20
• IUPAC Name: 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
• SMILES: C.O=S1CCc2nc(Cl)nc(Nc3cccc(F)c3)c21.O=S1CCc2nc(N3CCC(c4ccncc4)CC3)nc(Nc3cccc(F)c3)c21
• InChI: InChI=1S/C22H22FN5OS.C12H9ClFN3OS.CH4/c23-17-2-1-3-18(14-17)25-21-20-19(8-13-30(20)29)26-22(27-21)28-11-6-16(7-12-28)15-4-9-24-10-5-15;13-12-16-9-4-5-19(18)10(9)11(17-12)15-8-3-1-2-7(14)6-8;/h1-5,9-10,14,16H,6-8,11-13H2,(H,25,26,27);1-3,6H,4-5H2,(H,15,16,17);1H4
• InChIKey: LNUSQNHYRRSKKZ-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 125.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.30
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?

The IUPAC name of 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (CID 159404771) is 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.

What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?

The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is C.O=S1CCc2nc(Cl)nc(Nc3cccc(F)c3)c21.O=S1CCc2nc(N3CCC(c4ccncc4)CC3)nc(Nc3cccc(F)c3)c21.

What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?

The InChIKey is LNUSQNHYRRSKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5OS.C12H9ClFN3OS.CH4/c23-17-2-1-3-18(14-17)25-21-20-19(8-13-30(20)29)26-22(27-21)28-11-6-16(7-12-28)15-4-9-24-10-5-15;13-12-16-9-4-5-19(18)10(9)11(17-12)15-8-3-1-2-7(14)6-8;/h1-5,9-10,14,16H,6-8,11-13H2,(H,25,26,27);1-3,6H,4-5H2,(H,15,16,17);1H4.

What are the key properties of 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?

2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane has a molecular weight of 737.30 g/mol, XLogP of 7.11, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 159404771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).