4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine

C15H14N4S — CID 107643406

IUPAC4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
SMILESCSc1ccccc1Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H14N4S/c1-20-14-5-3-2-4-13(14)19-15-11-8-10(16)6-7-12(11)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyHBJPJAVVSCOSTJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.68
Rot. Bonds3

About 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine

4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine (PubChem CID 107643406) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
PubChem CID107643406
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
SMILESCSc1ccccc1Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H14N4S/c1-20-14-5-3-2-4-13(14)19-15-11-8-10(16)6-7-12(11)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyHBJPJAVVSCOSTJ-UHFFFAOYSA-N
XLogP3.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465
4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine
CID 107643432
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
CID 107634128
4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
CID 107786960
4-amino-6-(2-methylsulfanylanilino)pyrimidine-5-carbaldehyde
CID 87198566
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647224
2-N-quinazolin-4-ylbenzene-1,2-diamine
CID 21190751

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine (CID 107643406) is 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine is CSc1ccccc1Nc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine?
The InChIKey is HBJPJAVVSCOSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-20-14-5-3-2-4-13(14)19-15-11-8-10(16)6-7-12(11)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine?
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine has a molecular weight of 282.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 107643406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).