7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine

C27H28N4O2S — CID 122648726

IUPAC7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12
InChIInChI=1S/C27H28N4O2S/c1-16-24(20-5-3-4-6-22(20)32-2)25-23(34-16)15-29-27(31-25)30-21-8-7-18(17-9-12-28-13-10-17)19-11-14-33-26(19)21/h3-8,15,17,28H,9-14H2,1-2H3,(H,29,30,31)
InChIKeyALZQFDPTEMVTLZ-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.82
Rot. Bonds5

About 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine

7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 122648726) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID122648726
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC Name7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12
InChIInChI=1S/C27H28N4O2S/c1-16-24(20-5-3-4-6-22(20)32-2)25-23(34-16)15-29-27(31-25)30-21-8-7-18(17-9-12-28-13-10-17)19-11-14-33-26(19)21/h3-8,15,17,28H,9-14H2,1-2H3,(H,29,30,31)
InChIKeyALZQFDPTEMVTLZ-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-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine (CID 122648726) is 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine is COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.
What is the InChIKey of 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is ALZQFDPTEMVTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-16-24(20-5-3-4-6-22(20)32-2)25-23(34-16)15-29-27(31-25)30-21-8-7-18(17-9-12-28-13-10-17)19-11-14-33-26(19)21/h3-8,15,17,28H,9-14H2,1-2H3,(H,29,30,31).
What are the key properties of 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine?
7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[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-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 122648726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).