2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C16H12N2O3 — CID 99976497

IUPAC2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2cccc3ccccc23)[nH]c1=O
InChIInChI=1S/C16H12N2O3/c19-15-13(16(20)21)9-17-14(18-15)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H,20,21)(H,17,18,19)
InChIKeyLEEGXNVBZZHKIC-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.21
Rot. Bonds3

About 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 99976497) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID99976497
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2cccc3ccccc23)[nH]c1=O
InChIInChI=1S/C16H12N2O3/c19-15-13(16(20)21)9-17-14(18-15)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H,20,21)(H,17,18,19)
InChIKeyLEEGXNVBZZHKIC-UHFFFAOYSA-N
XLogP2.21
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(naphthalen-1-ylmethyl)-5-phenyl-1H-imidazole
CID 45137155
6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
CID 82168303
2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021303
2-[[benzyl(methylsulfonyl)amino]methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 53214761
2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 83699172
2-(methylsulfonylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62473467
6-oxo-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-5-carboxylic acid
CID 65131337
sodium 2-[(4-oxo-3H-quinazolin-2-yl)methyl]benzoate
CID 137193206
2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 82168297
5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 73010358
2-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251173
2-(naphthalen-1-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 732236

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 99976497) is 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(Cc2cccc3ccccc23)[nH]c1=O.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is LEEGXNVBZZHKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-13(16(20)21)9-17-14(18-15)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 99976497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).