4-(4-fluorophenyl)sulfanylquinazolin-6-amine

C14H10FN3S — CID 64588532

IUPAC4-(4-fluorophenyl)sulfanylquinazolin-6-amine
SMILESNc1ccc2ncnc(Sc3ccc(F)cc3)c2c1
InChIInChI=1S/C14H10FN3S/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2
InChIKeyMMKOOLKIZWJVJD-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.50
Rot. Bonds2

About 4-(4-fluorophenyl)sulfanylquinazolin-6-amine

4-(4-fluorophenyl)sulfanylquinazolin-6-amine (PubChem CID 64588532) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylquinazolin-6-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylquinazolin-6-amine
PubChem CID64588532
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC Name4-(4-fluorophenyl)sulfanylquinazolin-6-amine
SMILESNc1ccc2ncnc(Sc3ccc(F)cc3)c2c1
InChIInChI=1S/C14H10FN3S/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2
InChIKeyMMKOOLKIZWJVJD-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-4-pyridin-4-ylsulfanylquinazoline
CID 130258037
6-fluoro-4-(3-fluorophenyl)sulfanylquinazoline
CID 133429642
4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine
CID 64588143
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
3-fluoro-5-quinazolin-4-ylsulfanylaniline
CID 60894924
4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine
CID 64589134
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999
4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine
CID 4814433
4-butan-2-ylsulfanylquinazolin-6-amine
CID 64589334
5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
CID 80883053
4-(trifluoromethyl)quinazolin-6-amine
CID 105466490
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylquinazolin-6-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfanylquinazolin-6-amine (CID 64588532) is 4-(4-fluorophenyl)sulfanylquinazolin-6-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylquinazolin-6-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylquinazolin-6-amine is Nc1ccc2ncnc(Sc3ccc(F)cc3)c2c1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylquinazolin-6-amine?
The InChIKey is MMKOOLKIZWJVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2.
What are the key properties of 4-(4-fluorophenyl)sulfanylquinazolin-6-amine?
4-(4-fluorophenyl)sulfanylquinazolin-6-amine has a molecular weight of 271.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylquinazolin-6-amine is sourced from PubChem (CID 64588532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).