2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane

C36H48ClN9O5S2 — CID 159158409

About 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane

2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (PubChem CID 159158409) has the molecular formula C36H48ClN9O5S2 and a molecular weight of 786.42 g/mol. Its IUPAC name is 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.

Molecular Properties

• Compound Name: 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
• PubChem CID: 159158409
• Molecular Formula: C36H48ClN9O5S2
• Molecular Weight: 786.42 g/mol
• Exact Mass: 785.29
• IUPAC Name: 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
• SMILES: C.Cn1nc(-c2ccco2)cc1C1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.O=S1CCc2nc(Cl)nc(NC3CCOCC3)c21
• InChI: InChI=1S/C24H30N6O3S.C11H14ClN3O2S.CH4/c1-29-20(15-19(28-29)21-3-2-11-33-21)16-4-9-30(10-5-16)24-26-18-8-14-34(31)22(18)23(27-24)25-17-6-12-32-13-7-17;12-11-14-8-3-6-18(16)9(8)10(15-11)13-7-1-4-17-5-2-7;/h2-3,11,15-17H,4-10,12-14H2,1H3,(H,25,26,27);7H,1-6H2,(H,13,14,15);1H4
• InChIKey: KKEKTLLQWWBLPO-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 162.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	786.42
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (CID 159158409) is 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.

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

The canonical SMILES for 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is C.Cn1nc(-c2ccco2)cc1C1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.O=S1CCc2nc(Cl)nc(NC3CCOCC3)c21.

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

The InChIKey is KKEKTLLQWWBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S.C11H14ClN3O2S.CH4/c1-29-20(15-19(28-29)21-3-2-11-33-21)16-4-9-30(10-5-16)24-26-18-8-14-34(31)22(18)23(27-24)25-17-6-12-32-13-7-17;12-11-14-8-3-6-18(16)9(8)10(15-11)13-7-1-4-17-5-2-7;/h2-3,11,15-17H,4-10,12-14H2,1H3,(H,25,26,27);7H,1-6H2,(H,13,14,15);1H4.

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

2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane has a molecular weight of 786.42 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 159158409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).