6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

C15H18N6S — CID 133455661

IUPAC6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(n4ccnn4)CC3)ncnc2s1
InChIInChI=1S/C15H18N6S/c1-2-12-9-13-14(16-10-17-15(13)22-12)20-6-3-11(4-7-20)21-8-5-18-19-21/h5,8-11H,2-4,6-7H2,1H3
InChIKeyNLPNJJGSUFYLPL-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.69
Rot. Bonds3

About 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133455661) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133455661
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(n4ccnn4)CC3)ncnc2s1
InChIInChI=1S/C15H18N6S/c1-2-12-9-13-14(16-10-17-15(13)22-12)20-6-3-11(4-7-20)21-8-5-18-19-21/h5,8-11H,2-4,6-7H2,1H3
InChIKeyNLPNJJGSUFYLPL-UHFFFAOYSA-N
XLogP2.69
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 55626661
6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133280016
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 47184707
8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline
CID 133455600
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 146104926
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 133455661) is 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC(n4ccnn4)CC3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is NLPNJJGSUFYLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-2-12-9-13-14(16-10-17-15(13)22-12)20-6-3-11(4-7-20)21-8-5-18-19-21/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 314.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133455661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).