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

C18H20N4S — CID 2808597

IUPACN-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H20N4S/c1-2-4-14(5-3-1)12-22-9-6-15(7-10-22)21-17-16-8-11-23-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,19,20,21)
InChIKeyVHNZPOZLUIMVIB-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.77
Rot. Bonds4

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

N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2808597) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2808597
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC NameN-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H20N4S/c1-2-4-14(5-3-1)12-22-9-6-15(7-10-22)21-17-16-8-11-23-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,19,20,21)
InChIKeyVHNZPOZLUIMVIB-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.77
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)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 2808597) is N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(CN2CCC(Nc3ncnc4sccc34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VHNZPOZLUIMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-2-4-14(5-3-1)12-22-9-6-15(7-10-22)21-17-16-8-11-23-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,19,20,21).
What are the key properties of N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 3.77, 4 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)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2808597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).