2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine

C20H23N3S — CID 91964847

IUPAC2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCCCC3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C20H23N3S/c1-2-16-14-17-19(23-11-7-4-8-12-23)21-18(22-20(17)24-16)13-15-9-5-3-6-10-15/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3
InChIKeyRUDOJXBWFUNZLT-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.83
Rot. Bonds4

About 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine

2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 91964847) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID91964847
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCCCC3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C20H23N3S/c1-2-16-14-17-19(23-11-7-4-8-12-23)21-18(22-20(17)24-16)13-15-9-5-3-6-10-15/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3
InChIKeyRUDOJXBWFUNZLT-UHFFFAOYSA-N
XLogP4.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 91964890
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91964872
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
2-benzyl-6-ethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964818
2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 91965057

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine (CID 91964847) is 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCCCC3)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is RUDOJXBWFUNZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-2-16-14-17-19(23-11-7-4-8-12-23)21-18(22-20(17)24-16)13-15-9-5-3-6-10-15/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3.
What are the key properties of 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 337.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91964847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).