6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine

C18H14N4S — CID 3976284

IUPAC6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1
InChIInChI=1S/C18H14N4S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)23-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22)
InChIKeyPFAYJJZRASFRBB-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.10
Rot. Bonds2

About 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine

6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine (PubChem CID 3976284) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine
PubChem CID3976284
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1
InChIInChI=1S/C18H14N4S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)23-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22)
InChIKeyPFAYJJZRASFRBB-UHFFFAOYSA-N
XLogP4.10
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine?
The IUPAC name of 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine (CID 3976284) is 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine.
What is the SMILES notation for 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine?
The canonical SMILES for 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine is Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1.
What is the InChIKey of 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine?
The InChIKey is PFAYJJZRASFRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)23-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22).
What are the key properties of 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine?
6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine has a molecular weight of 318.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine is sourced from PubChem (CID 3976284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).