2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid

C15H10N4O2 — CID 131988138

IUPAC2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
SMILESCc1cc(-c2cccc(C#N)c2)nc2c(C(=O)O)ncn12
InChIInChI=1S/C15H10N4O2/c1-9-5-12(11-4-2-3-10(6-11)7-16)18-14-13(15(20)21)17-8-19(9)14/h2-6,8H,1H3,(H,20,21)
InChIKeyMPIOLNMDAZJLTK-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.27
Rot. Bonds2

About 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid

2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid (PubChem CID 131988138) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
PubChem CID131988138
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
SMILESCc1cc(-c2cccc(C#N)c2)nc2c(C(=O)O)ncn12
InChIInChI=1S/C15H10N4O2/c1-9-5-12(11-4-2-3-10(6-11)7-16)18-14-13(15(20)21)17-8-19(9)14/h2-6,8H,1H3,(H,20,21)
InChIKeyMPIOLNMDAZJLTK-UHFFFAOYSA-N
XLogP2.27
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid (CID 131988138) is 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid is Cc1cc(-c2cccc(C#N)c2)nc2c(C(=O)O)ncn12.
What is the InChIKey of 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The InChIKey is MPIOLNMDAZJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c1-9-5-12(11-4-2-3-10(6-11)7-16)18-14-13(15(20)21)17-8-19(9)14/h2-6,8H,1H3,(H,20,21).
What are the key properties of 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 131988138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).