4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine

C13H16ClN3S — CID 63388915

IUPAC4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(Cl)CC3)ncnc2s1
InChIInChI=1S/C13H16ClN3S/c1-2-10-7-11-12(15-8-16-13(11)18-10)17-5-3-9(14)4-6-17/h7-9H,2-6H2,1H3
InChIKeyBUKKQMYFPFAPTI-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine

4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 63388915) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID63388915
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(Cl)CC3)ncnc2s1
InChIInChI=1S/C13H16ClN3S/c1-2-10-7-11-12(15-8-16-13(11)18-10)17-5-3-9(14)4-6-17/h7-9H,2-6H2,1H3
InChIKeyBUKKQMYFPFAPTI-UHFFFAOYSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(4-chloropiperidin-1-yl)-6-ethylthieno[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

4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 55626661
6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133455661
6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133280016
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362775
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806
N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 31539436

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 63388915) is 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC(Cl)CC3)ncnc2s1.
What is the InChIKey of 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is BUKKQMYFPFAPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-2-10-7-11-12(15-8-16-13(11)18-10)17-5-3-9(14)4-6-17/h7-9H,2-6H2,1H3.
What are the key properties of 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 281.81 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 63388915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).