6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine

C12H15N5O2S — CID 516575

IUPAC6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)(=O)N3CCCC3)ccc2n1
InChIInChI=1S/C12H15N5O2S/c13-11-9-7-8(3-4-10(9)15-12(14)16-11)20(18,19)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H4,13,14,15,16)
InChIKeyOXDYABXFTBHUCI-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.58
Rot. Bonds2

About 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine

6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine (PubChem CID 516575) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine
PubChem CID516575
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)(=O)N3CCCC3)ccc2n1
InChIInChI=1S/C12H15N5O2S/c13-11-9-7-8(3-4-10(9)15-12(14)16-11)20(18,19)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H4,13,14,15,16)
InChIKeyOXDYABXFTBHUCI-UHFFFAOYSA-N
XLogP0.58
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine?
The IUPAC name of 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine (CID 516575) is 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine.
What is the SMILES notation for 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine?
The canonical SMILES for 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine is Nc1nc(N)c2cc(S(=O)(=O)N3CCCC3)ccc2n1.
What is the InChIKey of 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine?
The InChIKey is OXDYABXFTBHUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c13-11-9-7-8(3-4-10(9)15-12(14)16-11)20(18,19)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H4,13,14,15,16).
What are the key properties of 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine?
6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine has a molecular weight of 293.35 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine is sourced from PubChem (CID 516575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).