N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine

C24H24N4S — CID 2809036

IUPACN-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ncnc4cc(-c5ccccc5)sc34)CC2)cc1
InChIInChI=1S/C24H24N4S/c1-3-7-18(8-4-1)16-28-13-11-20(12-14-28)27-24-23-21(25-17-26-24)15-22(29-23)19-9-5-2-6-10-19/h1-10,15,17,20H,11-14,16H2,(H,25,26,27)
InChIKeyBVWZXNUIZVYPCJ-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.43
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 2809036) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID2809036
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ncnc4cc(-c5ccccc5)sc34)CC2)cc1
InChIInChI=1S/C24H24N4S/c1-3-7-18(8-4-1)16-28-13-11-20(12-14-28)27-24-23-21(25-17-26-24)15-22(29-23)19-9-5-2-6-10-19/h1-10,15,17,20H,11-14,16H2,(H,25,26,27)
InChIKeyBVWZXNUIZVYPCJ-UHFFFAOYSA-N
XLogP5.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 2809036) is N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is c1ccc(CN2CCC(Nc3ncnc4cc(-c5ccccc5)sc34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BVWZXNUIZVYPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-3-7-18(8-4-1)16-28-13-11-20(12-14-28)27-24-23-21(25-17-26-24)15-22(29-23)19-9-5-2-6-10-19/h1-10,15,17,20H,11-14,16H2,(H,25,26,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 400.55 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2809036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).