4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C18H19N3S — CID 2100018

IUPAC4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2
InChIKeyAJQCKNBBHOVJGO-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.15
Rot. Bonds3

About 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine

4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 2100018) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID2100018
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2
InChIKeyAJQCKNBBHOVJGO-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
[(1S)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
CID 90185749
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(Pentafluoroethyl)thieno[2,3-D]pyrimidine
CID 90453135
6-Methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 3157193
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-Anilinothieno[2,3-d]pyrimidine
CID 2477685
[1-(5-Phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 4540225

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 2100018) is 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine is c1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is AJQCKNBBHOVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 309.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2100018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).