2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C18H16N6S — CID 10236949

IUPAC2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(-c2cccc3nc(Sc4ccc(N)cc4)nc(N)c23)n[nH]1
InChIInChI=1S/C18H16N6S/c1-10-9-15(24-23-10)13-3-2-4-14-16(13)17(20)22-18(21-14)25-12-7-5-11(19)6-8-12/h2-9H,19H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyKUXUBPFYLNDGBP-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 10236949) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID10236949
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(-c2cccc3nc(Sc4ccc(N)cc4)nc(N)c23)n[nH]1
InChIInChI=1S/C18H16N6S/c1-10-9-15(24-23-10)13-3-2-4-14-16(13)17(20)22-18(21-14)25-12-7-5-11(19)6-8-12/h2-9H,19H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyKUXUBPFYLNDGBP-UHFFFAOYSA-N
XLogP3.64
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 10236949) is 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(-c2cccc3nc(Sc4ccc(N)cc4)nc(N)c23)n[nH]1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is KUXUBPFYLNDGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-10-9-15(24-23-10)13-3-2-4-14-16(13)17(20)22-18(21-14)25-12-7-5-11(19)6-8-12/h2-9H,19H2,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 348.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10236949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).