7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine

C27H28N4O2S — CID 122648723

IUPAC7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc2sc(C)c(-c3cccc4c3OCC4)c2n1
InChIInChI=1S/C27H28N4O2S/c1-16-24(20-5-3-4-18-10-13-33-26(18)20)25-23(34-16)15-29-27(31-25)30-21-7-6-19(14-22(21)32-2)17-8-11-28-12-9-17/h3-7,14-15,17,28H,8-13H2,1-2H3,(H,29,30,31)
InChIKeyTUKWUCAKVUMWFO-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.82
Rot. Bonds5

About 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine

7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 122648723) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine
PubChem CID122648723
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC Name7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc2sc(C)c(-c3cccc4c3OCC4)c2n1
InChIInChI=1S/C27H28N4O2S/c1-16-24(20-5-3-4-18-10-13-33-26(18)20)25-23(34-16)15-29-27(31-25)30-21-7-6-19(14-22(21)32-2)17-8-11-28-12-9-17/h3-7,14-15,17,28H,8-13H2,1-2H3,(H,29,30,31)
InChIKeyTUKWUCAKVUMWFO-UHFFFAOYSA-N
XLogP5.82
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine (CID 122648723) is 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine is COc1cc(C2CCNCC2)ccc1Nc1ncc2sc(C)c(-c3cccc4c3OCC4)c2n1.
What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is TUKWUCAKVUMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-16-24(20-5-3-4-18-10-13-33-26(18)20)25-23(34-16)15-29-27(31-25)30-21-7-6-19(14-22(21)32-2)17-8-11-28-12-9-17/h3-7,14-15,17,28H,8-13H2,1-2H3,(H,29,30,31).
What are the key properties of 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine?
7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 472.61 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 122648723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).