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

C15H20ClN3S — CID 63392557

IUPAC4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCCCC3CCCl)ncnc2s1
InChIInChI=1S/C15H20ClN3S/c1-2-12-9-13-14(17-10-18-15(13)20-12)19-8-4-3-5-11(19)6-7-16/h9-11H,2-8H2,1H3
InChIKeyAAECAWHKSKRYPV-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.24
Rot. Bonds4

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

4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 63392557) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
PubChem CID63392557
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCCCC3CCCl)ncnc2s1
InChIInChI=1S/C15H20ClN3S/c1-2-12-9-13-14(17-10-18-15(13)20-12)19-8-4-3-5-11(19)6-7-16/h9-11H,2-8H2,1H3
InChIKeyAAECAWHKSKRYPV-UHFFFAOYSA-N
XLogP4.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
4-[2-(2-chloroethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63392508
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 86214053
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 47184707
[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol
CID 103325518
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
[1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103332524
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine (CID 63392557) is 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCCCC3CCCl)ncnc2s1.
What is the InChIKey of 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is AAECAWHKSKRYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-2-12-9-13-14(17-10-18-15(13)20-12)19-8-4-3-5-11(19)6-7-16/h9-11H,2-8H2,1H3.
What are the key properties of 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine?
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 309.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 63392557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).