[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol

C12H15N3OS — CID 171328039

IUPAC[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
SMILESCCc1cc2c(N3CC(CO)C3)ncnc2s1
InChIInChI=1S/C12H15N3OS/c1-2-9-3-10-11(13-7-14-12(10)17-9)15-4-8(5-15)6-16/h3,7-8,16H,2,4-6H2,1H3
InChIKeyKCLWYXLWWQXBEU-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.68
Rot. Bonds3

About [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol

[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol (PubChem CID 171328039) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
PubChem CID171328039
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
SMILESCCc1cc2c(N3CC(CO)C3)ncnc2s1
InChIInChI=1S/C12H15N3OS/c1-2-9-3-10-11(13-7-14-12(10)17-9)15-4-8(5-15)6-16/h3,7-8,16H,2,4-6H2,1H3
InChIKeyKCLWYXLWWQXBEU-UHFFFAOYSA-N
XLogP1.68
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
CID 66197366
6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 154583376
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398
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)pyrrolidine-3-carboxamide
CID 60507618
6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 163352974
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 47184707
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782229
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 31539569

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol?
The IUPAC name of [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol (CID 171328039) is [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol is CCc1cc2c(N3CC(CO)C3)ncnc2s1.
What is the InChIKey of [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol?
The InChIKey is KCLWYXLWWQXBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-9-3-10-11(13-7-14-12(10)17-9)15-4-8(5-15)6-16/h3,7-8,16H,2,4-6H2,1H3.
What are the key properties of [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol?
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol has a molecular weight of 249.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol is sourced from PubChem (CID 171328039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).