ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate

C14H13N3O2S — CID 103200760

IUPACethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(-c3ccc(C)s3)ccnc2n1
InChIInChI=1S/C14H13N3O2S/c1-3-19-13(18)10-8-17-11(6-7-15-14(17)16-10)12-5-4-9(2)20-12/h4-8H,3H2,1-2H3
InChIKeyOHUJZPSDCMRSHF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.94
Rot. Bonds3

About ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate

ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 103200760) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID103200760
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Nameethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(-c3ccc(C)s3)ccnc2n1
InChIInChI=1S/C14H13N3O2S/c1-3-19-13(18)10-8-17-11(6-7-15-14(17)16-10)12-5-4-9(2)20-12/h4-8H,3H2,1-2H3
InChIKeyOHUJZPSDCMRSHF-UHFFFAOYSA-N
XLogP2.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate (CID 103200760) is ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(-c3ccc(C)s3)ccnc2n1.
What is the InChIKey of ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is OHUJZPSDCMRSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-19-13(18)10-8-17-11(6-7-15-14(17)16-10)12-5-4-9(2)20-12/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).