3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole

C15H15N3 — CID 116896947

IUPAC3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
SMILESCc1cc(-c2cn(C)c3ccccc23)nc(C)n1
InChIInChI=1S/C15H15N3/c1-10-8-14(17-11(2)16-10)13-9-18(3)15-7-5-4-6-12(13)15/h4-9H,1-3H3
InChIKeyAQPHMLQSYWGIKX-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.25
Rot. Bonds1

About 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole

3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole (PubChem CID 116896947) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole.

Molecular Properties

Compound Name3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
PubChem CID116896947
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
SMILESCc1cc(-c2cn(C)c3ccccc23)nc(C)n1
InChIInChI=1S/C15H15N3/c1-10-8-14(17-11(2)16-10)13-9-18(3)15-7-5-4-6-12(13)15/h4-9H,1-3H3
InChIKeyAQPHMLQSYWGIKX-UHFFFAOYSA-N
XLogP3.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369
4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde
CID 116894405
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
4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
CID 15211774
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
3-(1-methylindol-3-yl)-1,2-oxazole
CID 12938679
1-methyl-3-(4-methylphenyl)indole
CID 58931542
2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine
CID 153412768
[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine
CID 116857550
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole?
The IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole (CID 116896947) is 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole.
What is the SMILES notation for 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole?
The canonical SMILES for 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole is Cc1cc(-c2cn(C)c3ccccc23)nc(C)n1.
What is the InChIKey of 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole?
The InChIKey is AQPHMLQSYWGIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-8-14(17-11(2)16-10)13-9-18(3)15-7-5-4-6-12(13)15/h4-9H,1-3H3.
What are the key properties of 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole?
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole has a molecular weight of 237.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole is sourced from PubChem (CID 116896947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).