5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine

C19H16N4S — CID 593710

IUPAC5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(CSc3ccc4ccccc4c3)cccc2n1
InChIInChI=1S/C19H16N4S/c20-18-17-14(6-3-7-16(17)22-19(21)23-18)11-24-15-9-8-12-4-1-2-5-13(12)10-15/h1-10H,11H2,(H4,20,21,22,23)
InChIKeyZUUKBKAAIZGEMF-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.24
Rot. Bonds3

About 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine

5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine (PubChem CID 593710) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine
PubChem CID593710
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(CSc3ccc4ccccc4c3)cccc2n1
InChIInChI=1S/C19H16N4S/c20-18-17-14(6-3-7-16(17)22-19(21)23-18)11-24-15-9-8-12-4-1-2-5-13(12)10-15/h1-10H,11H2,(H4,20,21,22,23)
InChIKeyZUUKBKAAIZGEMF-UHFFFAOYSA-N
XLogP4.24
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine (CID 593710) is 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine is Nc1nc(N)c2c(CSc3ccc4ccccc4c3)cccc2n1.
What is the InChIKey of 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine?
The InChIKey is ZUUKBKAAIZGEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c20-18-17-14(6-3-7-16(17)22-19(21)23-18)11-24-15-9-8-12-4-1-2-5-13(12)10-15/h1-10H,11H2,(H4,20,21,22,23).
What are the key properties of 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine?
5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine has a molecular weight of 332.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-ylsulfanylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 593710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).