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

C23H23N5O2S — CID 126495670

IUPAC7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C4CCOCC4)c3)nc2c1-c1cccc2c1OCC2
InChIInChI=1S/C23H23N5O2S/c1-14-20(18-4-2-3-15-5-10-30-22(15)18)21-19(31-14)12-24-23(27-21)26-16-11-25-28(13-16)17-6-8-29-9-7-17/h2-4,11-13,17H,5-10H2,1H3,(H,24,26,27)
InChIKeyLSISFKDCAFVOCY-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.89
Rot. Bonds4

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

7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495670) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495670
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C4CCOCC4)c3)nc2c1-c1cccc2c1OCC2
InChIInChI=1S/C23H23N5O2S/c1-14-20(18-4-2-3-15-5-10-30-22(15)18)21-19(31-14)12-24-23(27-21)26-16-11-25-28(13-16)17-6-8-29-9-7-17/h2-4,11-13,17H,5-10H2,1H3,(H,24,26,27)
InChIKeyLSISFKDCAFVOCY-UHFFFAOYSA-N
XLogP4.89
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (CID 126495670) is 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is Cc1sc2cnc(Nc3cnn(C4CCOCC4)c3)nc2c1-c1cccc2c1OCC2.
What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is LSISFKDCAFVOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-20(18-4-2-3-15-5-10-30-22(15)18)21-19(31-14)12-24-23(27-21)26-16-11-25-28(13-16)17-6-8-29-9-7-17/h2-4,11-13,17H,5-10H2,1H3,(H,24,26,27).
What are the key properties of 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 433.54 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).