5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine

C14H10Cl2N4OS — CID 12555977

IUPAC5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Cl)c(S(=O)c3ccccc3Cl)ccc2n1
InChIInChI=1S/C14H10Cl2N4OS/c15-7-3-1-2-4-9(7)22(21)10-6-5-8-11(12(10)16)13(17)20-14(18)19-8/h1-6H,(H4,17,18,19,20)
InChIKeyHYUHULQWRJQJTF-UHFFFAOYSA-N
MW353.23 g/mol
LogP3.27
Rot. Bonds2

About 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine

5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine (PubChem CID 12555977) has the molecular formula C14H10Cl2N4OS and a molecular weight of 353.23 g/mol. Its IUPAC name is 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine
PubChem CID12555977
Molecular FormulaC14H10Cl2N4OS
Molecular Weight353.23 g/mol
Exact Mass352.00
IUPAC Name5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Cl)c(S(=O)c3ccccc3Cl)ccc2n1
InChIInChI=1S/C14H10Cl2N4OS/c15-7-3-1-2-4-9(7)22(21)10-6-5-8-11(12(10)16)13(17)20-14(18)19-8/h1-6H,(H4,17,18,19,20)
InChIKeyHYUHULQWRJQJTF-UHFFFAOYSA-N
XLogP3.27
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine?
The IUPAC name of 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine (CID 12555977) is 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine.
What is the SMILES notation for 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine?
The canonical SMILES for 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine is Nc1nc(N)c2c(Cl)c(S(=O)c3ccccc3Cl)ccc2n1.
What is the InChIKey of 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine?
The InChIKey is HYUHULQWRJQJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4OS/c15-7-3-1-2-4-9(7)22(21)10-6-5-8-11(12(10)16)13(17)20-14(18)19-8/h1-6H,(H4,17,18,19,20).
What are the key properties of 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine?
5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine has a molecular weight of 353.23 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chlorophenyl)sulfinylquinazoline-2,4-diamine is sourced from PubChem (CID 12555977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).