ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate

C9H13N3O2 — CID 137229698

IUPACethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2n1CCCN2
InChIInChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-11-9-10-4-3-5-12(7)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyUHJFLDRPOGQOJF-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds2

About ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate

ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate (PubChem CID 137229698) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate
PubChem CID137229698
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2n1CCCN2
InChIInChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-11-9-10-4-3-5-12(7)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyUHJFLDRPOGQOJF-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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Related Compounds

Methyl 1H-imidazole-5-carboxylate
CID 565661
Ethyl 6,8-dibromoimidazo[1,2-a]pyrazine-2-carboxylate
CID 19827087
Ethyl imidazo[1,2-a]pyrazine-2-carboxylate
CID 11845418
Ethyl 4(5)-imidazolecarboxylate
CID 99170
Methyl 1-methyl-1H-imidazole-5-carboxylate
CID 2736896
Ethyl 5-bromoimidazo[1,2-a]pyrazine-2-carboxylate
CID 24212954
ethyl 2-methyl-1H-imidazole-4-carboxylate
CID 572715
Ethyl 2-amino-1H-imidazole-5-carboxylate
CID 573233
Methyl 1-methyl-1H-imidazole-4-carboxylate
CID 2773510
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester
CID 21503744
ethyl 5H,6H,7H,8H-imidazo(1,2-a)pyrimidine-2-carboxylate
CID 135779061
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester
CID 327546

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate (CID 137229698) is ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnc2n1CCCN2.
What is the InChIKey of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is UHJFLDRPOGQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-11-9-10-4-3-5-12(7)9/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate?
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-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-3-carboxylate is sourced from PubChem (CID 137229698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).