2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride

C8H8ClN3O2 — CID 155291153

IUPAC2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
SMILESCc1nc2ncccn2c1C(=O)O.Cl
InChIInChI=1S/C8H7N3O2.ClH/c1-5-6(7(12)13)11-4-2-3-9-8(11)10-5;/h2-4H,1H3,(H,12,13);1H
InChIKeyYQCBQEDDLZFPNU-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.16
Rot. Bonds1

About 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride

2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride (PubChem CID 155291153) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
PubChem CID155291153
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
SMILESCc1nc2ncccn2c1C(=O)O.Cl
InChIInChI=1S/C8H7N3O2.ClH/c1-5-6(7(12)13)11-4-2-3-9-8(11)10-5;/h2-4H,1H3,(H,12,13);1H
InChIKeyYQCBQEDDLZFPNU-UHFFFAOYSA-N
XLogP1.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride (CID 155291153) is 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride is Cc1nc2ncccn2c1C(=O)O.Cl.
What is the InChIKey of 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride?
The InChIKey is YQCBQEDDLZFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c1-5-6(7(12)13)11-4-2-3-9-8(11)10-5;/h2-4H,1H3,(H,12,13);1H.
What are the key properties of 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride?
2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride has a molecular weight of 213.62 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 155291153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).