2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde

C16H12N2O — CID 88947041

IUPAC2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde
SMILESCc1ccc2ccc(-c3cncnc3)cc2c1C=O
InChIInChI=1S/C16H12N2O/c1-11-2-3-12-4-5-13(6-15(12)16(11)9-19)14-7-17-10-18-8-14/h2-10H,1H3
InChIKeyJWGUSYXFAVMQQG-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.42
Rot. Bonds2

About 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde

2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde (PubChem CID 88947041) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde
PubChem CID88947041
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde
SMILESCc1ccc2ccc(-c3cncnc3)cc2c1C=O
InChIInChI=1S/C16H12N2O/c1-11-2-3-12-4-5-13(6-15(12)16(11)9-19)14-7-17-10-18-8-14/h2-10H,1H3
InChIKeyJWGUSYXFAVMQQG-UHFFFAOYSA-N
XLogP3.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde (CID 88947041) is 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde is Cc1ccc2ccc(-c3cncnc3)cc2c1C=O.
What is the InChIKey of 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde?
The InChIKey is JWGUSYXFAVMQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-11-2-3-12-4-5-13(6-15(12)16(11)9-19)14-7-17-10-18-8-14/h2-10H,1H3.
What are the key properties of 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde?
2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde has a molecular weight of 248.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-pyrimidin-5-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 88947041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).