5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine

C14H10Cl2N4S — CID 605849

IUPAC5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Sc3ccc(Cl)c(Cl)c3)cccc2n1
InChIInChI=1S/C14H10Cl2N4S/c15-8-5-4-7(6-9(8)16)21-11-3-1-2-10-12(11)13(17)20-14(18)19-10/h1-6H,(H4,17,18,19,20)
InChIKeyXUXCHDQNUCJTLR-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.25
Rot. Bonds2

About 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine

5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine (PubChem CID 605849) has the molecular formula C14H10Cl2N4S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine
PubChem CID605849
Molecular FormulaC14H10Cl2N4S
Molecular Weight337.24 g/mol
Exact Mass336.00
IUPAC Name5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Sc3ccc(Cl)c(Cl)c3)cccc2n1
InChIInChI=1S/C14H10Cl2N4S/c15-8-5-4-7(6-9(8)16)21-11-3-1-2-10-12(11)13(17)20-14(18)19-10/h1-6H,(H4,17,18,19,20)
InChIKeyXUXCHDQNUCJTLR-UHFFFAOYSA-N
XLogP4.25
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine?
The IUPAC name of 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine (CID 605849) is 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine?
The canonical SMILES for 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine is Nc1nc(N)c2c(Sc3ccc(Cl)c(Cl)c3)cccc2n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine?
The InChIKey is XUXCHDQNUCJTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4S/c15-8-5-4-7(6-9(8)16)21-11-3-1-2-10-12(11)13(17)20-14(18)19-10/h1-6H,(H4,17,18,19,20).
What are the key properties of 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine?
5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine has a molecular weight of 337.24 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine is sourced from PubChem (CID 605849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).