6-phenylsulfanylquinazoline-2,4-diamine

C14H12N4S — CID 622601

IUPAC6-phenylsulfanylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(Sc3ccccc3)ccc2n1
InChIInChI=1S/C14H12N4S/c15-13-11-8-10(19-9-4-2-1-3-5-9)6-7-12(11)17-14(16)18-13/h1-8H,(H4,15,16,17,18)
InChIKeyZPCHLRLETWGWJB-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.95
Rot. Bonds2

About 6-phenylsulfanylquinazoline-2,4-diamine

6-phenylsulfanylquinazoline-2,4-diamine (PubChem CID 622601) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 6-phenylsulfanylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-phenylsulfanylquinazoline-2,4-diamine
PubChem CID622601
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name6-phenylsulfanylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(Sc3ccccc3)ccc2n1
InChIInChI=1S/C14H12N4S/c15-13-11-8-10(19-9-4-2-1-3-5-9)6-7-12(11)17-14(16)18-13/h1-8H,(H4,15,16,17,18)
InChIKeyZPCHLRLETWGWJB-UHFFFAOYSA-N
XLogP2.95
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanylquinazoline-2,4-diamine?
The IUPAC name of 6-phenylsulfanylquinazoline-2,4-diamine (CID 622601) is 6-phenylsulfanylquinazoline-2,4-diamine.
What is the SMILES notation for 6-phenylsulfanylquinazoline-2,4-diamine?
The canonical SMILES for 6-phenylsulfanylquinazoline-2,4-diamine is Nc1nc(N)c2cc(Sc3ccccc3)ccc2n1.
What is the InChIKey of 6-phenylsulfanylquinazoline-2,4-diamine?
The InChIKey is ZPCHLRLETWGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-13-11-8-10(19-9-4-2-1-3-5-9)6-7-12(11)17-14(16)18-13/h1-8H,(H4,15,16,17,18).
What are the key properties of 6-phenylsulfanylquinazoline-2,4-diamine?
6-phenylsulfanylquinazoline-2,4-diamine has a molecular weight of 268.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanylquinazoline-2,4-diamine is sourced from PubChem (CID 622601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).