6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid

C17H15BrN2O3 — CID 91075244

IUPAC6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCCC1=NC(=O)NC(c2ccc3ccccc3c2Br)C1C(=O)O
InChIInChI=1S/C17H15BrN2O3/c1-2-12-13(16(21)22)15(20-17(23)19-12)11-8-7-9-5-3-4-6-10(9)14(11)18/h3-8,13,15H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeySZGHEKSHDKYXLL-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.92
Rot. Bonds3

About 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid

6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid (PubChem CID 91075244) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
PubChem CID91075244
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCCC1=NC(=O)NC(c2ccc3ccccc3c2Br)C1C(=O)O
InChIInChI=1S/C17H15BrN2O3/c1-2-12-13(16(21)22)15(20-17(23)19-12)11-8-7-9-5-3-4-6-10(9)14(11)18/h3-8,13,15H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeySZGHEKSHDKYXLL-UHFFFAOYSA-N
XLogP3.92
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid (CID 91075244) is 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid is CCC1=NC(=O)NC(c2ccc3ccccc3c2Br)C1C(=O)O.
What is the InChIKey of 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The InChIKey is SZGHEKSHDKYXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-2-12-13(16(21)22)15(20-17(23)19-12)11-8-7-9-5-3-4-6-10(9)14(11)18/h3-8,13,15H,2H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid has a molecular weight of 375.22 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromonaphthalen-2-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 91075244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).