6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid

C9H13N3O3 — CID 136688043

IUPAC6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)NCC(CCO)C2
InChIInChI=1S/C9H13N3O3/c13-2-1-6-3-10-9-11-7(8(14)15)5-12(9)4-6/h5-6,13H,1-4H2,(H,10,11)(H,14,15)
InChIKeyMMNKBUBDAHRJJV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.01
Rot. Bonds3

About 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid

6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 136688043) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID136688043
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)NCC(CCO)C2
InChIInChI=1S/C9H13N3O3/c13-2-1-6-3-10-9-11-7(8(14)15)5-12(9)4-6/h5-6,13H,1-4H2,(H,10,11)(H,14,15)
InChIKeyMMNKBUBDAHRJJV-UHFFFAOYSA-N
XLogP0.01
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 136688043) is 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(n1)NCC(CCO)C2.
What is the InChIKey of 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is MMNKBUBDAHRJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-2-1-6-3-10-9-11-7(8(14)15)5-12(9)4-6/h5-6,13H,1-4H2,(H,10,11)(H,14,15).
What are the key properties of 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 136688043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).