4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione

C9H11N3S — CID 89468371

IUPAC4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione
SMILESCC1=CC=CC2NC(=S)N=C(N)C12
InChIInChI=1S/C9H11N3S/c1-5-3-2-4-6-7(5)8(10)12-9(13)11-6/h2-4,6-7H,1H3,(H3,10,11,12,13)
InChIKeyRBVRNRDHOBRHRZ-UHFFFAOYSA-N
MW193.28 g/mol
LogP0.73
Rot. Bonds

About 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione

4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione (PubChem CID 89468371) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione.

Molecular Properties

Compound Name4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione
PubChem CID89468371
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione
SMILESCC1=CC=CC2NC(=S)N=C(N)C12
InChIInChI=1S/C9H11N3S/c1-5-3-2-4-6-7(5)8(10)12-9(13)11-6/h2-4,6-7H,1H3,(H3,10,11,12,13)
InChIKeyRBVRNRDHOBRHRZ-UHFFFAOYSA-N
XLogP0.73
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione 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

5-Methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 21336462
4-amino-4a,8a-dihydro-1H-quinazoline-2-thione
CID 89468491
Methane;5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 160132574
4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine
CID 176524925
4-butan-2-ylimino-4aH-quinazoline-2-thione
CID 167997483
4-propan-2-ylimino-4aH-quinazoline-2-thione
CID 167998473

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione?
The IUPAC name of 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione (CID 89468371) is 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione.
What is the SMILES notation for 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione?
The canonical SMILES for 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione is CC1=CC=CC2NC(=S)N=C(N)C12.
What is the InChIKey of 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione?
The InChIKey is RBVRNRDHOBRHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-5-3-2-4-6-7(5)8(10)12-9(13)11-6/h2-4,6-7H,1H3,(H3,10,11,12,13).
What are the key properties of 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione?
4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione has a molecular weight of 193.28 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione is sourced from PubChem (CID 89468371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).