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

C15H13N3O3 — CID 131987653

IUPAC2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
SMILESCOc1cccc(-c2cc(C)n3cnc(C(=O)O)c3n2)c1
InChIInChI=1S/C15H13N3O3/c1-9-6-12(10-4-3-5-11(7-10)21-2)17-14-13(15(19)20)16-8-18(9)14/h3-8H,1-2H3,(H,19,20)
InChIKeyAYLDJQFPAGAWEK-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.41
Rot. Bonds3

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

2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid (PubChem CID 131987653) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
PubChem CID131987653
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
SMILESCOc1cccc(-c2cc(C)n3cnc(C(=O)O)c3n2)c1
InChIInChI=1S/C15H13N3O3/c1-9-6-12(10-4-3-5-11(7-10)21-2)17-14-13(15(19)20)16-8-18(9)14/h3-8H,1-2H3,(H,19,20)
InChIKeyAYLDJQFPAGAWEK-UHFFFAOYSA-N
XLogP2.41
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987787
2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131988138
2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 63259837
2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131987836
4-(3-methoxyphenyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-6-carboxylic acid
CID 19916266
ethyl 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131988139
ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131988114
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585703
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
4-[4-(difluoromethyl)-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29090416
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371025

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid (CID 131987653) is 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid is COc1cccc(-c2cc(C)n3cnc(C(=O)O)c3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
The InChIKey is AYLDJQFPAGAWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-6-12(10-4-3-5-11(7-10)21-2)17-14-13(15(19)20)16-8-18(9)14/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid?
2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 131987653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).