6-(phenylsulfanylmethyl)quinazoline-2,4-diamine

C15H14N4S — CID 10779267

IUPAC6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(CSc3ccccc3)ccc2n1
InChIInChI=1S/C15H14N4S/c16-14-12-8-10(6-7-13(12)18-15(17)19-14)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H4,16,17,18,19)
InChIKeyJLPKSBCIDPQXAF-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.09
Rot. Bonds3

About 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine

6-(phenylsulfanylmethyl)quinazoline-2,4-diamine (PubChem CID 10779267) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
PubChem CID10779267
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(CSc3ccccc3)ccc2n1
InChIInChI=1S/C15H14N4S/c16-14-12-8-10(6-7-13(12)18-15(17)19-14)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H4,16,17,18,19)
InChIKeyJLPKSBCIDPQXAF-UHFFFAOYSA-N
XLogP3.09
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine (CID 10779267) is 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine is Nc1nc(N)c2cc(CSc3ccccc3)ccc2n1.
What is the InChIKey of 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine?
The InChIKey is JLPKSBCIDPQXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c16-14-12-8-10(6-7-13(12)18-15(17)19-14)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H4,16,17,18,19).
What are the key properties of 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine?
6-(phenylsulfanylmethyl)quinazoline-2,4-diamine has a molecular weight of 282.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenylsulfanylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 10779267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).