6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine

C15H17N5S — CID 154583376

IUPAC6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CC(Cn4ccnc4)C3)ncnc2s1
InChIInChI=1S/C15H17N5S/c1-2-12-5-13-14(17-9-18-15(13)21-12)20-7-11(8-20)6-19-4-3-16-10-19/h3-5,9-11H,2,6-8H2,1H3
InChIKeyLHICNZICWOZEHO-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.59
Rot. Bonds4

About 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 154583376) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID154583376
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CC(Cn4ccnc4)C3)ncnc2s1
InChIInChI=1S/C15H17N5S/c1-2-12-5-13-14(17-9-18-15(13)21-12)20-7-11(8-20)6-19-4-3-16-10-19/h3-5,9-11H,2,6-8H2,1H3
InChIKeyLHICNZICWOZEHO-UHFFFAOYSA-N
XLogP2.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-imidazol-1-ylthieno[2,3-d]pyrimidine
CID 47021451
6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
CID 66197366
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782229
6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133280016
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 47184707
6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 146104926
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
CID 154580669
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 55626661
6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine
CID 159295114
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 46362719

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine (CID 154583376) is 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CC(Cn4ccnc4)C3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is LHICNZICWOZEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-2-12-5-13-14(17-9-18-15(13)21-12)20-7-11(8-20)6-19-4-3-16-10-19/h3-5,9-11H,2,6-8H2,1H3.
What are the key properties of 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 299.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 154583376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).