4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde

C21H18N4O — CID 86703055

IUPAC4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
SMILESCNc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nc(C)cn12
InChIInChI=1S/C21H18N4O/c1-14-12-25-20(22-2)18(16-6-4-3-5-7-16)19(24-21(25)23-14)17-10-8-15(13-26)9-11-17/h3-13,22H,1-2H3
InChIKeyNPXLVOOQOHGJSU-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.23
Rot. Bonds4

About 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde

4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde (PubChem CID 86703055) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
PubChem CID86703055
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
SMILESCNc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nc(C)cn12
InChIInChI=1S/C21H18N4O/c1-14-12-25-20(22-2)18(16-6-4-3-5-7-16)19(24-21(25)23-14)17-10-8-15(13-26)9-11-17/h3-13,22H,1-2H3
InChIKeyNPXLVOOQOHGJSU-UHFFFAOYSA-N
XLogP4.23
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde
CID 86630668
4-[7-(cyclobutylamino)-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde
CID 89044132
methyl 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 86703062
4-[6-phenyl-2-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde
CID 87561545
7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 87616611
4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
CID 86630656
methyl 5-(4-formylphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 86630701
4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
CID 86703036
2-methyl-6-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2759987
4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
CID 11462006
3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
CID 146163534
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde?
The IUPAC name of 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde (CID 86703055) is 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde.
What is the SMILES notation for 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde?
The canonical SMILES for 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde is CNc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nc(C)cn12.
What is the InChIKey of 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde?
The InChIKey is NPXLVOOQOHGJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-12-25-20(22-2)18(16-6-4-3-5-7-16)19(24-21(25)23-14)17-10-8-15(13-26)9-11-17/h3-13,22H,1-2H3.
What are the key properties of 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde?
4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde has a molecular weight of 342.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde is sourced from PubChem (CID 86703055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).