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

C24H28N4O3S — CID 25271272

IUPAC2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C24H28N4O3S/c29-32-14-9-19-22(32)23(25-18-7-12-30-13-8-18)27-24(26-19)28-10-5-16(6-11-28)21-15-17-3-1-2-4-20(17)31-21/h1-4,15-16,18H,5-14H2,(H,25,26,27)
InChIKeyRPFYMSHJRDUCNF-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.86
Rot. Bonds4

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

2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 25271272) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID25271272
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C24H28N4O3S/c29-32-14-9-19-22(32)23(25-18-7-12-30-13-8-18)27-24(26-19)28-10-5-16(6-11-28)21-15-17-3-1-2-4-20(17)31-21/h1-4,15-16,18H,5-14H2,(H,25,26,27)
InChIKeyRPFYMSHJRDUCNF-UHFFFAOYSA-N
XLogP3.86
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 25271272) is 2-[4-(1-benzofuran-2-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-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(NC3CCOCC3)c21.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is RPFYMSHJRDUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c29-32-14-9-19-22(32)23(25-18-7-12-30-13-8-18)27-24(26-19)28-10-5-16(6-11-28)21-15-17-3-1-2-4-20(17)31-21/h1-4,15-16,18H,5-14H2,(H,25,26,27).
What are the key properties of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 452.58 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25271272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).