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

C9H13N3O2 — CID 135779061

IUPACethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h6H,2-5H2,1H3,(H,10,11)
InChIKeyQLUHDKGNAMXJOV-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds2

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

ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 135779061) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID135779061
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h6H,2-5H2,1H3,(H,10,11)
InChIKeyQLUHDKGNAMXJOV-UHFFFAOYSA-N
XLogP0.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate (CID 135779061) is ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(n1)NCCC2.
What is the InChIKey of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is QLUHDKGNAMXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 135779061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).