N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C24H24N4S — CID 985393

IUPACN-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ncnc4scc(-c5ccccc5)c34)CC2)cc1
InChIInChI=1S/C24H24N4S/c1-3-7-18(8-4-1)15-28-13-11-20(12-14-28)27-23-22-21(19-9-5-2-6-10-19)16-29-24(22)26-17-25-23/h1-10,16-17,20H,11-15H2,(H,25,26,27)
InChIKeyUUVLNXOVNYNPAB-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.43
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 985393) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID985393
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ncnc4scc(-c5ccccc5)c34)CC2)cc1
InChIInChI=1S/C24H24N4S/c1-3-7-18(8-4-1)15-28-13-11-20(12-14-28)27-23-22-21(19-9-5-2-6-10-19)16-29-24(22)26-17-25-23/h1-10,16-17,20H,11-15H2,(H,25,26,27)
InChIKeyUUVLNXOVNYNPAB-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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Related Compounds

2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24592338
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2554418
1-[4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 39967644
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 16553301
N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 60504520
N-[(3R)-1-benzylpyrrolidin-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9109166
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60503068
4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 1189434

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 985393) is N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(CN2CCC(Nc3ncnc4scc(-c5ccccc5)c34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UUVLNXOVNYNPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-3-7-18(8-4-1)15-28-13-11-20(12-14-28)27-23-22-21(19-9-5-2-6-10-19)16-29-24(22)26-17-25-23/h1-10,16-17,20H,11-15H2,(H,25,26,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-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)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 985393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).