4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione

C9H13N3S — CID 19937348

IUPAC4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione
SMILESCn1c2c(c(N)nc1=S)CCCC2
InChIInChI=1S/C9H13N3S/c1-12-7-5-3-2-4-6(7)8(10)11-9(12)13/h2-5H2,1H3,(H2,10,11,13)
InChIKeyKIQWPZUGLNYDCU-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.61
Rot. Bonds

About 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione

4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione (PubChem CID 19937348) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione.

Molecular Properties

Compound Name4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione
PubChem CID19937348
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione
SMILESCn1c2c(c(N)nc1=S)CCCC2
InChIInChI=1S/C9H13N3S/c1-12-7-5-3-2-4-6(7)8(10)11-9(12)13/h2-5H2,1H3,(H2,10,11,13)
InChIKeyKIQWPZUGLNYDCU-UHFFFAOYSA-N
XLogP1.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-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

4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione
CID 19937352
4-amino-5,6,7,8-tetrahydro-1H-quinazoline-2-thione
CID 57456908
1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-4-amine
CID 142625788
4-(methylamino)-5,6,7,8-tetrahydro-1H-quinazoline-2-thione
CID 83871510
2-Amino-3-methyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 84023994

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione?
The IUPAC name of 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione (CID 19937348) is 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione.
What is the SMILES notation for 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione?
The canonical SMILES for 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione is Cn1c2c(c(N)nc1=S)CCCC2.
What is the InChIKey of 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione?
The InChIKey is KIQWPZUGLNYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-12-7-5-3-2-4-6(7)8(10)11-9(12)13/h2-5H2,1H3,(H2,10,11,13).
What are the key properties of 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione?
4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione has a molecular weight of 195.29 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5,6,7,8-tetrahydroquinazoline-2-thione is sourced from PubChem (CID 19937348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).