ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate

C10H15N3O2 — CID 136839792

IUPACethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1CNc2nccn2C1C
InChIInChI=1S/C10H15N3O2/c1-3-15-9(14)8-6-12-10-11-4-5-13(10)7(8)2/h4-5,7-8H,3,6H2,1-2H3,(H,11,12)
InChIKeyWBOOMNFCUJRAJU-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.05
Rot. Bonds2

About ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate

ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 136839792) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID136839792
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1CNc2nccn2C1C
InChIInChI=1S/C10H15N3O2/c1-3-15-9(14)8-6-12-10-11-4-5-13(10)7(8)2/h4-5,7-8H,3,6H2,1-2H3,(H,11,12)
InChIKeyWBOOMNFCUJRAJU-UHFFFAOYSA-N
XLogP1.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate (CID 136839792) is ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1CNc2nccn2C1C.
What is the InChIKey of ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is WBOOMNFCUJRAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-9(14)8-6-12-10-11-4-5-13(10)7(8)2/h4-5,7-8H,3,6H2,1-2H3,(H,11,12).
What are the key properties of ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate?
ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 136839792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).