(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine

C14H12N4S — CID 115490289

IUPAC(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
SMILESNCc1ccc(Sc2ncnc3ccccc23)cn1
InChIInChI=1S/C14H12N4S/c15-7-10-5-6-11(8-16-10)19-14-12-3-1-2-4-13(12)17-9-18-14/h1-6,8-9H,7,15H2
InChIKeyUEFDBZWWAYJQAM-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.63
Rot. Bonds3

About (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine

(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine (PubChem CID 115490289) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
PubChem CID115490289
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
SMILESNCc1ccc(Sc2ncnc3ccccc23)cn1
InChIInChI=1S/C14H12N4S/c15-7-10-5-6-11(8-16-10)19-14-12-3-1-2-4-13(12)17-9-18-14/h1-6,8-9H,7,15H2
InChIKeyUEFDBZWWAYJQAM-UHFFFAOYSA-N
XLogP2.63
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine?
The IUPAC name of (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine (CID 115490289) is (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine.
What is the SMILES notation for (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine?
The canonical SMILES for (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine is NCc1ccc(Sc2ncnc3ccccc23)cn1.
What is the InChIKey of (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine?
The InChIKey is UEFDBZWWAYJQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-7-10-5-6-11(8-16-10)19-14-12-3-1-2-4-13(12)17-9-18-14/h1-6,8-9H,7,15H2.
What are the key properties of (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine?
(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine has a molecular weight of 268.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine is sourced from PubChem (CID 115490289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).