2,4-diaminoquinazoline-6-thiol

C8H8N4S — CID 91618965

IUPAC2,4-diaminoquinazoline-6-thiol
SMILESNc1nc(N)c2cc(S)ccc2n1
InChIInChI=1S/C8H8N4S/c9-7-5-3-4(13)1-2-6(5)11-8(10)12-7/h1-3,13H,(H4,9,10,11,12)
InChIKeyCUJQJMFTLYLBHY-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.08
Rot. Bonds

About 2,4-diaminoquinazoline-6-thiol

2,4-diaminoquinazoline-6-thiol (PubChem CID 91618965) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,4-diaminoquinazoline-6-thiol.

Molecular Properties

Compound Name2,4-diaminoquinazoline-6-thiol
PubChem CID91618965
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name2,4-diaminoquinazoline-6-thiol
SMILESNc1nc(N)c2cc(S)ccc2n1
InChIInChI=1S/C8H8N4S/c9-7-5-3-4(13)1-2-6(5)11-8(10)12-7/h1-3,13H,(H4,9,10,11,12)
InChIKeyCUJQJMFTLYLBHY-UHFFFAOYSA-N
XLogP1.08
TPSA77.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2,4-diaminoquinazoline-6-thiol 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

6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151
2,4-diaminoquinazoline-6-sulfonyl chloride;sulfuric acid
CID 13413784
6-N,6-N-diethylquinazoline-2,4,6-triamine
CID 44531790
6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine
CID 86119311
6-(nitrosomethyl)quinazoline-2,4-diamine
CID 172623336
2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine
CID 160928089
6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine
CID 600263
hydrazine;platinum;quinazoline-2,4-diamine
CID 175421188
6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
CID 10779267
2-amino-1,3-benzoxazole-6-thiol
CID 130877164
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 626823

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminoquinazoline-6-thiol?
The IUPAC name of 2,4-diaminoquinazoline-6-thiol (CID 91618965) is 2,4-diaminoquinazoline-6-thiol.
What is the SMILES notation for 2,4-diaminoquinazoline-6-thiol?
The canonical SMILES for 2,4-diaminoquinazoline-6-thiol is Nc1nc(N)c2cc(S)ccc2n1.
What is the InChIKey of 2,4-diaminoquinazoline-6-thiol?
The InChIKey is CUJQJMFTLYLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-7-5-3-4(13)1-2-6(5)11-8(10)12-7/h1-3,13H,(H4,9,10,11,12).
What are the key properties of 2,4-diaminoquinazoline-6-thiol?
2,4-diaminoquinazoline-6-thiol has a molecular weight of 192.25 g/mol, XLogP of 1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminoquinazoline-6-thiol is sourced from PubChem (CID 91618965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).