1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine

C11H12N4OS — CID 123175816

IUPAC1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine
SMILESNC1CN(c2ncnc3ccc(OS)cc23)C1
InChIInChI=1S/C11H12N4OS/c12-7-4-15(5-7)11-9-3-8(16-17)1-2-10(9)13-6-14-11/h1-3,6-7,17H,4-5,12H2
InChIKeyHKFNVUKIBHDGFZ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.00
Rot. Bonds2

About 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine

1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine (PubChem CID 123175816) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine
PubChem CID123175816
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine
SMILESNC1CN(c2ncnc3ccc(OS)cc23)C1
InChIInChI=1S/C11H12N4OS/c12-7-4-15(5-7)11-9-3-8(16-17)1-2-10(9)13-6-14-11/h1-3,6-7,17H,4-5,12H2
InChIKeyHKFNVUKIBHDGFZ-UHFFFAOYSA-N
XLogP1.00
TPSA64.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803
1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine
CID 126563159
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
6-bromo-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)quinazoline
CID 175652074
4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline
CID 175930530
4-(2,2,6-trimethylmorpholin-4-yl)quinazolin-6-amine
CID 64590100
4-[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]oxypyridine-2-carboxamide
CID 146079958
4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine
CID 103530590
4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one
CID 168700953

Frequently Asked Questions

What is the IUPAC name of 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine?
The IUPAC name of 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine (CID 123175816) is 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine is NC1CN(c2ncnc3ccc(OS)cc23)C1.
What is the InChIKey of 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine?
The InChIKey is HKFNVUKIBHDGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-7-4-15(5-7)11-9-3-8(16-17)1-2-10(9)13-6-14-11/h1-3,6-7,17H,4-5,12H2.
What are the key properties of 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine?
1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine has a molecular weight of 248.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine is sourced from PubChem (CID 123175816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).