4,6-dimethyl-4a,5-dihydroquinazoline

C10H12N2 — CID 129058049

IUPAC4,6-dimethyl-4a,5-dihydroquinazoline
SMILESCC1=CC=C2N=CN=C(C)C2C1
InChIInChI=1S/C10H12N2/c1-7-3-4-10-9(5-7)8(2)11-6-12-10/h3-4,6,9H,5H2,1-2H3
InChIKeyNHJNFHVEGWGLJJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.34
Rot. Bonds

About 4,6-dimethyl-4a,5-dihydroquinazoline

4,6-dimethyl-4a,5-dihydroquinazoline (PubChem CID 129058049) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4,6-dimethyl-4a,5-dihydroquinazoline.

Molecular Properties

Compound Name4,6-dimethyl-4a,5-dihydroquinazoline
PubChem CID129058049
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4,6-dimethyl-4a,5-dihydroquinazoline
SMILESCC1=CC=C2N=CN=C(C)C2C1
InChIInChI=1S/C10H12N2/c1-7-3-4-10-9(5-7)8(2)11-6-12-10/h3-4,6,9H,5H2,1-2H3
InChIKeyNHJNFHVEGWGLJJ-UHFFFAOYSA-N
XLogP2.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-4a,5-dihydroquinazoline 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 4,6-dimethyl-4a,5-dihydroquinazoline?
The IUPAC name of 4,6-dimethyl-4a,5-dihydroquinazoline (CID 129058049) is 4,6-dimethyl-4a,5-dihydroquinazoline.
What is the SMILES notation for 4,6-dimethyl-4a,5-dihydroquinazoline?
The canonical SMILES for 4,6-dimethyl-4a,5-dihydroquinazoline is CC1=CC=C2N=CN=C(C)C2C1.
What is the InChIKey of 4,6-dimethyl-4a,5-dihydroquinazoline?
The InChIKey is NHJNFHVEGWGLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-3-4-10-9(5-7)8(2)11-6-12-10/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 4,6-dimethyl-4a,5-dihydroquinazoline?
4,6-dimethyl-4a,5-dihydroquinazoline has a molecular weight of 160.22 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4a,5-dihydroquinazoline is sourced from PubChem (CID 129058049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).