N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine

C15H14N4S — CID 80883177

IUPACN-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
SMILESCCNc1nc(Sc2ccccn2)c2ccccc2n1
InChIInChI=1S/C15H14N4S/c1-2-16-15-18-12-8-4-3-7-11(12)14(19-15)20-13-9-5-6-10-17-13/h3-10H,2H2,1H3,(H,16,18,19)
InChIKeyQKBXMSLBOOKSEN-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.61
Rot. Bonds4

About N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine

N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine (PubChem CID 80883177) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
PubChem CID80883177
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
SMILESCCNc1nc(Sc2ccccn2)c2ccccc2n1
InChIInChI=1S/C15H14N4S/c1-2-16-15-18-12-8-4-3-7-11(12)14(19-15)20-13-9-5-6-10-17-13/h3-10H,2H2,1H3,(H,16,18,19)
InChIKeyQKBXMSLBOOKSEN-UHFFFAOYSA-N
XLogP3.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine?
The IUPAC name of N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine (CID 80883177) is N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine.
What is the SMILES notation for N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine?
The canonical SMILES for N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine is CCNc1nc(Sc2ccccn2)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine?
The InChIKey is QKBXMSLBOOKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-2-16-15-18-12-8-4-3-7-11(12)14(19-15)20-13-9-5-6-10-17-13/h3-10H,2H2,1H3,(H,16,18,19).
What are the key properties of N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine?
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine is sourced from PubChem (CID 80883177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).