6-morpholin-4-ylsulfonylquinazoline-2,4-diamine

C12H15N5O3S — CID 516577

IUPAC6-morpholin-4-ylsulfonylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C12H15N5O3S/c13-11-9-7-8(1-2-10(9)15-12(14)16-11)21(18,19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H4,13,14,15,16)
InChIKeyJRHGFSNJCDBIAV-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.18
Rot. Bonds2

About 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine

6-morpholin-4-ylsulfonylquinazoline-2,4-diamine (PubChem CID 516577) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonylquinazoline-2,4-diamine
PubChem CID516577
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name6-morpholin-4-ylsulfonylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C12H15N5O3S/c13-11-9-7-8(1-2-10(9)15-12(14)16-11)21(18,19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H4,13,14,15,16)
InChIKeyJRHGFSNJCDBIAV-UHFFFAOYSA-N
XLogP-0.18
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine?
The IUPAC name of 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine (CID 516577) is 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine?
The canonical SMILES for 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine is Nc1nc(N)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine?
The InChIKey is JRHGFSNJCDBIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c13-11-9-7-8(1-2-10(9)15-12(14)16-11)21(18,19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H4,13,14,15,16).
What are the key properties of 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine?
6-morpholin-4-ylsulfonylquinazoline-2,4-diamine has a molecular weight of 309.35 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonylquinazoline-2,4-diamine is sourced from PubChem (CID 516577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).