1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone

C15H13N3O — CID 116901481

IUPAC1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone
SMILESCC(=O)c1nccc(-c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C15H13N3O/c1-9-14(11-5-3-4-6-12(11)17-9)13-7-8-16-15(18-13)10(2)19/h3-8,17H,1-2H3
InChIKeyKWTSRQASILYMDV-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.14
Rot. Bonds2

About 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone

1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone (PubChem CID 116901481) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone
PubChem CID116901481
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone
SMILESCC(=O)c1nccc(-c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C15H13N3O/c1-9-14(11-5-3-4-6-12(11)17-9)13-7-8-16-15(18-13)10(2)19/h3-8,17H,1-2H3
InChIKeyKWTSRQASILYMDV-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 67553522
[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine
CID 116904148
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
4-(2-methyl-1H-indol-3-yl)quinoline
CID 745072
2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid
CID 82299162
5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 82482484
4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 118741337
2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile
CID 116894910
4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 166058003
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
CID 82299158
CID 170645728
CID 170645728

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone (CID 116901481) is 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone is CC(=O)c1nccc(-c2c(C)[nH]c3ccccc23)n1.
What is the InChIKey of 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone?
The InChIKey is KWTSRQASILYMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-14(11-5-3-4-6-12(11)17-9)13-7-8-16-15(18-13)10(2)19/h3-8,17H,1-2H3.
What are the key properties of 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone?
1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone has a molecular weight of 251.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone is sourced from PubChem (CID 116901481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).