6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine

C15H19N3O3S — CID 119049485

IUPAC6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
SMILESCS(=O)(=O)c1ccc2ncnc(NCC3CCOCC3)c2c1
InChIInChI=1S/C15H19N3O3S/c1-22(19,20)12-2-3-14-13(8-12)15(18-10-17-14)16-9-11-4-6-21-7-5-11/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,17,18)
InChIKeyFFPPKGPNJYUZJG-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.87
Rot. Bonds4

About 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine

6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine (PubChem CID 119049485) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
PubChem CID119049485
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
SMILESCS(=O)(=O)c1ccc2ncnc(NCC3CCOCC3)c2c1
InChIInChI=1S/C15H19N3O3S/c1-22(19,20)12-2-3-14-13(8-12)15(18-10-17-14)16-9-11-4-6-21-7-5-11/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,17,18)
InChIKeyFFPPKGPNJYUZJG-UHFFFAOYSA-N
XLogP1.87
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine (CID 119049485) is 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine is CS(=O)(=O)c1ccc2ncnc(NCC3CCOCC3)c2c1.
What is the InChIKey of 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine?
The InChIKey is FFPPKGPNJYUZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-22(19,20)12-2-3-14-13(8-12)15(18-10-17-14)16-9-11-4-6-21-7-5-11/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,17,18).
What are the key properties of 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine?
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine has a molecular weight of 321.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 119049485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).