2-methyl-1,4,5,6,7,8-hexahydroquinazoline

C9H14N2 — CID 18740813

IUPAC2-methyl-1,4,5,6,7,8-hexahydroquinazoline
SMILESCC1=NCC2=C(CCCC2)N1
InChIInChI=1S/C9H14N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-6H2,1H3,(H,10,11)
InChIKeyHPJWEXYWEYUMRO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.84
Rot. Bonds

About 2-methyl-1,4,5,6,7,8-hexahydroquinazoline

2-methyl-1,4,5,6,7,8-hexahydroquinazoline (PubChem CID 18740813) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-1,4,5,6,7,8-hexahydroquinazoline.

Molecular Properties

Compound Name2-methyl-1,4,5,6,7,8-hexahydroquinazoline
PubChem CID18740813
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-methyl-1,4,5,6,7,8-hexahydroquinazoline
SMILESCC1=NCC2=C(CCCC2)N1
InChIInChI=1S/C9H14N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-6H2,1H3,(H,10,11)
InChIKeyHPJWEXYWEYUMRO-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1,4,5,6,7,8-hexahydroquinazoline 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-1,4,5,6,7,8-hexahydroquinazoline?
The IUPAC name of 2-methyl-1,4,5,6,7,8-hexahydroquinazoline (CID 18740813) is 2-methyl-1,4,5,6,7,8-hexahydroquinazoline.
What is the SMILES notation for 2-methyl-1,4,5,6,7,8-hexahydroquinazoline?
The canonical SMILES for 2-methyl-1,4,5,6,7,8-hexahydroquinazoline is CC1=NCC2=C(CCCC2)N1.
What is the InChIKey of 2-methyl-1,4,5,6,7,8-hexahydroquinazoline?
The InChIKey is HPJWEXYWEYUMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-6H2,1H3,(H,10,11).
What are the key properties of 2-methyl-1,4,5,6,7,8-hexahydroquinazoline?
2-methyl-1,4,5,6,7,8-hexahydroquinazoline has a molecular weight of 150.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,5,6,7,8-hexahydroquinazoline is sourced from PubChem (CID 18740813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).