6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine

C14H13N5S — CID 86119311

IUPAC6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine
SMILESNc1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C14H13N5S/c15-8-1-3-9(4-2-8)20-10-5-6-12-11(7-10)13(16)19-14(17)18-12/h1-7H,15H2,(H4,16,17,18,19)
InChIKeyVSYQKQMAVICBIK-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.53
Rot. Bonds2

About 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine

6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine (PubChem CID 86119311) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine
PubChem CID86119311
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine
SMILESNc1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C14H13N5S/c15-8-1-3-9(4-2-8)20-10-5-6-12-11(7-10)13(16)19-14(17)18-12/h1-7H,15H2,(H4,16,17,18,19)
InChIKeyVSYQKQMAVICBIK-UHFFFAOYSA-N
XLogP2.53
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 626823
2,4-diaminoquinazoline-6-thiol
CID 91618965
4-(4-aminophenyl)sulfanylaniline
CID 8765
2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine
CID 160928089
4-(4-aminophenyl)sulfanylaniline;pentahydrofluoride
CID 172767370
6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
CID 10779267
6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151
4-(4-aminophenyl)sulfanylbenzene-1,2-diamine
CID 10130826
6-N,6-N-diethylquinazoline-2,4,6-triamine
CID 44531790
4-(3H-benzimidazol-5-ylsulfanyl)aniline
CID 13484920
6-(nitrosomethyl)quinazoline-2,4-diamine
CID 172623336
6-amino-2-(4-chlorophenyl)sulfanyl-3H-quinazolin-4-one
CID 136809598

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine?
The IUPAC name of 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine (CID 86119311) is 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine.
What is the SMILES notation for 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine?
The canonical SMILES for 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine is Nc1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1.
What is the InChIKey of 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine?
The InChIKey is VSYQKQMAVICBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c15-8-1-3-9(4-2-8)20-10-5-6-12-11(7-10)13(16)19-14(17)18-12/h1-7H,15H2,(H4,16,17,18,19).
What are the key properties of 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine?
6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine has a molecular weight of 283.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine is sourced from PubChem (CID 86119311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).