1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol

C15H21N3OS — CID 133423681

IUPAC1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCCc1nc(N2CCCC(C(C)O)C2)c2ccsc2n1
InChIInChI=1S/C15H21N3OS/c1-3-13-16-14(12-6-8-20-15(12)17-13)18-7-4-5-11(9-18)10(2)19/h6,8,10-11,19H,3-5,7,9H2,1-2H3
InChIKeyMMOIQQAETJGLJH-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.85
Rot. Bonds3

About 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol

1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 133423681) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID133423681
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCCc1nc(N2CCCC(C(C)O)C2)c2ccsc2n1
InChIInChI=1S/C15H21N3OS/c1-3-13-16-14(12-6-8-20-15(12)17-13)18-7-4-5-11(9-18)10(2)19/h6,8,10-11,19H,3-5,7,9H2,1-2H3
InChIKeyMMOIQQAETJGLJH-UHFFFAOYSA-N
XLogP2.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403125
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol
CID 133403636
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479437
2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133405300
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
CID 133404111
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291
5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 133403957
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine
CID 133404794

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol (CID 133423681) is 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol is CCc1nc(N2CCCC(C(C)O)C2)c2ccsc2n1.
What is the InChIKey of 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is MMOIQQAETJGLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-13-16-14(12-6-8-20-15(12)17-13)18-7-4-5-11(9-18)10(2)19/h6,8,10-11,19H,3-5,7,9H2,1-2H3.
What are the key properties of 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol?
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 291.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 133423681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).