4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde

C15H13N3O — CID 116894405

IUPAC4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde
SMILESCc1cc(-c2cn(C)c3ccccc23)nc(C=O)n1
InChIInChI=1S/C15H13N3O/c1-10-7-13(17-15(9-19)16-10)12-8-18(2)14-6-4-3-5-11(12)14/h3-9H,1-2H3
InChIKeyBMZCXUAWKTUGFK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.76
Rot. Bonds2

About 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde

4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde (PubChem CID 116894405) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde
PubChem CID116894405
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde
SMILESCc1cc(-c2cn(C)c3ccccc23)nc(C=O)n1
InChIInChI=1S/C15H13N3O/c1-10-7-13(17-15(9-19)16-10)12-8-18(2)14-6-4-3-5-11(12)14/h3-9H,1-2H3
InChIKeyBMZCXUAWKTUGFK-UHFFFAOYSA-N
XLogP2.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
5-methylpyrrolo[2,3-c]quinoline
CID 46228107
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
3-(1-methylindol-3-yl)-1,2-oxazole
CID 12938679
[2-(1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114062
1-methyl-3-(4-methylphenyl)indole
CID 58931542
[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine
CID 116857550

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde?
The IUPAC name of 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde (CID 116894405) is 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde is Cc1cc(-c2cn(C)c3ccccc23)nc(C=O)n1.
What is the InChIKey of 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde?
The InChIKey is BMZCXUAWKTUGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-7-13(17-15(9-19)16-10)12-8-18(2)14-6-4-3-5-11(12)14/h3-9H,1-2H3.
What are the key properties of 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde?
4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde is sourced from PubChem (CID 116894405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).