(3-quinazolin-4-ylsulfanylphenyl)methanamine

C15H13N3S — CID 102818709

IUPAC(3-quinazolin-4-ylsulfanylphenyl)methanamine
SMILESNCc1cccc(Sc2ncnc3ccccc23)c1
InChIInChI=1S/C15H13N3S/c16-9-11-4-3-5-12(8-11)19-15-13-6-1-2-7-14(13)17-10-18-15/h1-8,10H,9,16H2
InChIKeyBBQSFCJKQLFQOX-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.24
Rot. Bonds3

About (3-quinazolin-4-ylsulfanylphenyl)methanamine

(3-quinazolin-4-ylsulfanylphenyl)methanamine (PubChem CID 102818709) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is (3-quinazolin-4-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3-quinazolin-4-ylsulfanylphenyl)methanamine
PubChem CID102818709
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name(3-quinazolin-4-ylsulfanylphenyl)methanamine
SMILESNCc1cccc(Sc2ncnc3ccccc23)c1
InChIInChI=1S/C15H13N3S/c16-9-11-4-3-5-12(8-11)19-15-13-6-1-2-7-14(13)17-10-18-15/h1-8,10H,9,16H2
InChIKeyBBQSFCJKQLFQOX-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
CID 115490289
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
3-fluoro-5-quinazolin-4-ylsulfanylaniline
CID 60894924
4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline
CID 67620011
6-fluoro-4-(3-fluorophenyl)sulfanylquinazoline
CID 133429642
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide
CID 60894211
2-(4-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanamine
CID 63818147
2-quinazolin-4-ylsulfanylphenol
CID 62026320
(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951535

Frequently Asked Questions

What is the IUPAC name of (3-quinazolin-4-ylsulfanylphenyl)methanamine?
The IUPAC name of (3-quinazolin-4-ylsulfanylphenyl)methanamine (CID 102818709) is (3-quinazolin-4-ylsulfanylphenyl)methanamine.
What is the SMILES notation for (3-quinazolin-4-ylsulfanylphenyl)methanamine?
The canonical SMILES for (3-quinazolin-4-ylsulfanylphenyl)methanamine is NCc1cccc(Sc2ncnc3ccccc23)c1.
What is the InChIKey of (3-quinazolin-4-ylsulfanylphenyl)methanamine?
The InChIKey is BBQSFCJKQLFQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-9-11-4-3-5-12(8-11)19-15-13-6-1-2-7-14(13)17-10-18-15/h1-8,10H,9,16H2.
What are the key properties of (3-quinazolin-4-ylsulfanylphenyl)methanamine?
(3-quinazolin-4-ylsulfanylphenyl)methanamine has a molecular weight of 267.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinazolin-4-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 102818709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).