1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine

C24H25N5S — CID 127024839

IUPAC1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(-c2csc3ncnc(N4CCC(CNCc5ccccn5)CC4)c23)cc1
InChIInChI=1S/C24H25N5S/c1-2-6-19(7-3-1)21-16-30-24-22(21)23(27-17-28-24)29-12-9-18(10-13-29)14-25-15-20-8-4-5-11-26-20/h1-8,11,16-18,25H,9-10,12-15H2
InChIKeyQMAOFELLBUSCPY-UHFFFAOYSA-N
MW415.57 g/mol
LogP4.76
Rot. Bonds6

About 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine

1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 127024839) has the molecular formula C24H25N5S and a molecular weight of 415.57 g/mol. Its IUPAC name is 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID127024839
Molecular FormulaC24H25N5S
Molecular Weight415.57 g/mol
Exact Mass415.18
IUPAC Name1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(-c2csc3ncnc(N4CCC(CNCc5ccccn5)CC4)c23)cc1
InChIInChI=1S/C24H25N5S/c1-2-6-19(7-3-1)21-16-30-24-22(21)23(27-17-28-24)29-12-9-18(10-13-29)14-25-15-20-8-4-5-11-26-20/h1-8,11,16-18,25H,9-10,12-15H2
InChIKeyQMAOFELLBUSCPY-UHFFFAOYSA-N
XLogP4.76
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine (CID 127024839) is 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(-c2csc3ncnc(N4CCC(CNCc5ccccn5)CC4)c23)cc1.
What is the InChIKey of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is QMAOFELLBUSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5S/c1-2-6-19(7-3-1)21-16-30-24-22(21)23(27-17-28-24)29-12-9-18(10-13-29)14-25-15-20-8-4-5-11-26-20/h1-8,11,16-18,25H,9-10,12-15H2.
What are the key properties of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine?
1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 415.57 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 127024839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).