2-methyl-1H-perimidine

C12H10N2 — CID 750290

IUPAC2-methyl-1H-perimidine
SMILESCC1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C12H10N2/c1-8-13-10-6-2-4-9-5-3-7-11(14-8)12(9)10/h2-7H,1H3,(H,13,14)
InChIKeyHJXMORWPPSSVMF-UHFFFAOYSA-N
MW182.23 g/mol
LogP3.32
Rot. Bonds

About 2-methyl-1H-perimidine

2-methyl-1H-perimidine (PubChem CID 750290) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-methyl-1H-perimidine.

Molecular Properties

Compound Name2-methyl-1H-perimidine
PubChem CID750290
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-methyl-1H-perimidine
SMILESCC1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C12H10N2/c1-8-13-10-6-2-4-9-5-3-7-11(14-8)12(9)10/h2-7H,1H3,(H,13,14)
InChIKeyHJXMORWPPSSVMF-UHFFFAOYSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

Analyze 2-methyl-1H-perimidine 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-1H-perimidine?
The IUPAC name of 2-methyl-1H-perimidine (CID 750290) is 2-methyl-1H-perimidine.
What is the SMILES notation for 2-methyl-1H-perimidine?
The canonical SMILES for 2-methyl-1H-perimidine is CC1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-methyl-1H-perimidine?
The InChIKey is HJXMORWPPSSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-13-10-6-2-4-9-5-3-7-11(14-8)12(9)10/h2-7H,1H3,(H,13,14).
What are the key properties of 2-methyl-1H-perimidine?
2-methyl-1H-perimidine has a molecular weight of 182.23 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-perimidine is sourced from PubChem (CID 750290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).