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

C17H21N5S — CID 133280016

IUPAC6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(c4ccnn4C)CC3)ncnc2s1
InChIInChI=1S/C17H21N5S/c1-3-13-10-14-16(18-11-19-17(14)23-13)22-8-5-12(6-9-22)15-4-7-20-21(15)2/h4,7,10-12H,3,5-6,8-9H2,1-2H3
InChIKeyMGEXBYVHQJEETI-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.37
Rot. Bonds3

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

6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133280016) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133280016
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(c4ccnn4C)CC3)ncnc2s1
InChIInChI=1S/C17H21N5S/c1-3-13-10-14-16(18-11-19-17(14)23-13)22-8-5-12(6-9-22)15-4-7-20-21(15)2/h4,7,10-12H,3,5-6,8-9H2,1-2H3
InChIKeyMGEXBYVHQJEETI-UHFFFAOYSA-N
XLogP3.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133455661
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
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
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 962678
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 133280016) is 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC(c4ccnn4C)CC3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is MGEXBYVHQJEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-3-13-10-14-16(18-11-19-17(14)23-13)22-8-5-12(6-9-22)15-4-7-20-21(15)2/h4,7,10-12H,3,5-6,8-9H2,1-2H3.
What are the key properties of 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 327.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133280016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).