4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

C14H11N3O3 — CID 82487831

IUPAC4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(-c2c[nH]c3ccccc23)c1C(=O)O
InChIInChI=1S/C14H11N3O3/c1-7-11(13(18)19)12(17-14(20)16-7)9-6-15-10-5-3-2-4-8(9)10/h2-6,15H,1H3,(H,18,19)(H,16,17,20)
InChIKeyMYAGKCFRKNHWPX-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.92
Rot. Bonds2

About 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 82487831) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID82487831
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(-c2c[nH]c3ccccc23)c1C(=O)O
InChIInChI=1S/C14H11N3O3/c1-7-11(13(18)19)12(17-14(20)16-7)9-6-15-10-5-3-2-4-8(9)10/h2-6,15H,1H3,(H,18,19)(H,16,17,20)
InChIKeyMYAGKCFRKNHWPX-UHFFFAOYSA-N
XLogP1.92
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82483307
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one
CID 135769184
2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
CID 82488540
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
CID 82373555
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
2-[1-(dimethylamino)-3-methylbutyl]-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 157180375
3-(4-methylphenyl)-1H-quinolin-4-one
CID 15930283

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 82487831) is 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid is Cc1[nH]c(=O)nc(-c2c[nH]c3ccccc23)c1C(=O)O.
What is the InChIKey of 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is MYAGKCFRKNHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-7-11(13(18)19)12(17-14(20)16-7)9-6-15-10-5-3-2-4-8(9)10/h2-6,15H,1H3,(H,18,19)(H,16,17,20).
What are the key properties of 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82487831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).