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

C13H17N5O2S — CID 516574

IUPAC6-piperidin-1-ylsulfonylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)(=O)N3CCCCC3)ccc2n1
InChIInChI=1S/C13H17N5O2S/c14-12-10-8-9(4-5-11(10)16-13(15)17-12)21(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H4,14,15,16,17)
InChIKeyPEKBXLPDMLWTFU-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.97
Rot. Bonds2

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

6-piperidin-1-ylsulfonylquinazoline-2,4-diamine (PubChem CID 516574) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-piperidin-1-ylsulfonylquinazoline-2,4-diamine
PubChem CID516574
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name6-piperidin-1-ylsulfonylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)(=O)N3CCCCC3)ccc2n1
InChIInChI=1S/C13H17N5O2S/c14-12-10-8-9(4-5-11(10)16-13(15)17-12)21(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H4,14,15,16,17)
InChIKeyPEKBXLPDMLWTFU-UHFFFAOYSA-N
XLogP0.97
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine?
The IUPAC name of 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine (CID 516574) is 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine.
What is the SMILES notation for 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine?
The canonical SMILES for 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine is Nc1nc(N)c2cc(S(=O)(=O)N3CCCCC3)ccc2n1.
What is the InChIKey of 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine?
The InChIKey is PEKBXLPDMLWTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c14-12-10-8-9(4-5-11(10)16-13(15)17-12)21(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H4,14,15,16,17).
What are the key properties of 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine?
6-piperidin-1-ylsulfonylquinazoline-2,4-diamine has a molecular weight of 307.38 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine is sourced from PubChem (CID 516574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).