4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine

C13H9ClN4S — CID 80890982

IUPAC4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
SMILESNc1nc(Sc2ccc(Cl)cn2)c2ccccc2n1
InChIInChI=1S/C13H9ClN4S/c14-8-5-6-11(16-7-8)19-12-9-3-1-2-4-10(9)17-13(15)18-12/h1-7H,(H2,15,17,18)
InChIKeyOVONMEXEOABNJU-UHFFFAOYSA-N
MW288.76 g/mol
LogP3.41
Rot. Bonds2

About 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine

4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine (PubChem CID 80890982) has the molecular formula C13H9ClN4S and a molecular weight of 288.76 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
PubChem CID80890982
Molecular FormulaC13H9ClN4S
Molecular Weight288.76 g/mol
Exact Mass288.02
IUPAC Name4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
SMILESNc1nc(Sc2ccc(Cl)cn2)c2ccccc2n1
InChIInChI=1S/C13H9ClN4S/c14-8-5-6-11(16-7-8)19-12-9-3-1-2-4-10(9)17-13(15)18-12/h1-7H,(H2,15,17,18)
InChIKeyOVONMEXEOABNJU-UHFFFAOYSA-N
XLogP3.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine (CID 80890982) is 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine is Nc1nc(Sc2ccc(Cl)cn2)c2ccccc2n1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine?
The InChIKey is OVONMEXEOABNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4S/c14-8-5-6-11(16-7-8)19-12-9-3-1-2-4-10(9)17-13(15)18-12/h1-7H,(H2,15,17,18).
What are the key properties of 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine?
4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine has a molecular weight of 288.76 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine is sourced from PubChem (CID 80890982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).