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

C35H44ClN9O5S2 — CID 158161384

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

2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 158161384) has the molecular formula C35H44ClN9O5S2 and a molecular weight of 770.38 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-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 158161384
• Molecular Formula: C35H44ClN9O5S2
• Molecular Weight: 770.38 g/mol
• Exact Mass: 769.26
• IUPAC Name: 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: Cn1nc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1-c1ccco1.O=S1CCc2nc(Cl)nc(NC3CCOCC3)c21
• InChI: InChI=1S/C24H30N6O3S.C11H14ClN3O2S/c1-29-20(21-3-2-11-33-21)15-19(28-29)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)
• InChIKey: FWHVBNBUSNGZOE-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 162.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.38
LogP ≤ 5	4.49
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-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 158161384) is 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

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

The canonical SMILES for 2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cn1nc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1-c1ccco1.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-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is FWHVBNBUSNGZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S.C11H14ClN3O2S/c1-29-20(21-3-2-11-33-21)15-19(28-29)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).

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

2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 770.38 g/mol, XLogP of 4.49, 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-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158161384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).