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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Related Compounds

CID 65822
CID 65822
CID 5330616
CID 5330616
CID 10402951
CID 10402951
CID 13301018
CID 13301018
CID 13301029
CID 13301029
CID 13301030
CID 13301030
CID 13301031
CID 13301031
CID 13301034
CID 13301034
CID 13301037
CID 13301037
CID 13301045
CID 13301045
CID 13301046
CID 13301046
CID 13301147
CID 13301147

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).