2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

C16H15N3O2 — CID 82307318

IUPAC2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1c(C)cc(C)cc1-c1nc2ncccn2c1C=O
InChIInChI=1S/C16H15N3O2/c1-10-7-11(2)15(21-3)12(8-10)14-13(9-20)19-6-4-5-17-16(19)18-14/h4-9H,1-3H3
InChIKeyLKMUXWWJFCJDQU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 82307318) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID82307318
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1c(C)cc(C)cc1-c1nc2ncccn2c1C=O
InChIInChI=1S/C16H15N3O2/c1-10-7-11(2)15(21-3)12(8-10)14-13(9-20)19-6-4-5-17-16(19)18-14/h4-9H,1-3H3
InChIKeyLKMUXWWJFCJDQU-UHFFFAOYSA-N
XLogP2.83
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 82307318) is 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is COc1c(C)cc(C)cc1-c1nc2ncccn2c1C=O.
What is the InChIKey of 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is LKMUXWWJFCJDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-7-11(2)15(21-3)12(8-10)14-13(9-20)19-6-4-5-17-16(19)18-14/h4-9H,1-3H3.
What are the key properties of 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 281.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 82307318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).