6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine

C13H9Cl2N5OS — CID 600480

IUPAC6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2nc(S(=O)c3ccc(Cl)c(Cl)c3)ccc2n1
InChIInChI=1S/C13H9Cl2N5OS/c14-7-2-1-6(5-8(7)15)22(21)10-4-3-9-11(19-10)12(16)20-13(17)18-9/h1-5H,(H4,16,17,18,20)
InChIKeyQXHGUUKUXUMPQM-UHFFFAOYSA-N
MW354.22 g/mol
LogP2.66
Rot. Bonds2

About 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine

6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 600480) has the molecular formula C13H9Cl2N5OS and a molecular weight of 354.22 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID600480
Molecular FormulaC13H9Cl2N5OS
Molecular Weight354.22 g/mol
Exact Mass352.99
IUPAC Name6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2nc(S(=O)c3ccc(Cl)c(Cl)c3)ccc2n1
InChIInChI=1S/C13H9Cl2N5OS/c14-7-2-1-6(5-8(7)15)22(21)10-4-3-9-11(19-10)12(16)20-13(17)18-9/h1-5H,(H4,16,17,18,20)
InChIKeyQXHGUUKUXUMPQM-UHFFFAOYSA-N
XLogP2.66
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 600480) is 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine is Nc1nc(N)c2nc(S(=O)c3ccc(Cl)c(Cl)c3)ccc2n1.
What is the InChIKey of 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is QXHGUUKUXUMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5OS/c14-7-2-1-6(5-8(7)15)22(21)10-4-3-9-11(19-10)12(16)20-13(17)18-9/h1-5H,(H4,16,17,18,20).
What are the key properties of 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine?
6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 354.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 600480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).