N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C14H19N5O3S — CID 154788953

IUPACN-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)nc(C)n1
InChIInChI=1S/C14H19N5O3S/c1-9-5-12(17-10(2)16-9)18-23(20,21)11-6-15-19-7-14(3,4)8-22-13(11)19/h5-6H,7-8H2,1-4H3,(H,16,17,18)
InChIKeyMZQFSGQWQBSJFA-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.51
Rot. Bonds3

About N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 154788953) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID154788953
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)nc(C)n1
InChIInChI=1S/C14H19N5O3S/c1-9-5-12(17-10(2)16-9)18-23(20,21)11-6-15-19-7-14(3,4)8-22-13(11)19/h5-6H,7-8H2,1-4H3,(H,16,17,18)
InChIKeyMZQFSGQWQBSJFA-UHFFFAOYSA-N
XLogP1.51
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 154788953) is N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)nc(C)n1.
What is the InChIKey of N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is MZQFSGQWQBSJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9-5-12(17-10(2)16-9)18-23(20,21)11-6-15-19-7-14(3,4)8-22-13(11)19/h5-6H,7-8H2,1-4H3,(H,16,17,18).
What are the key properties of N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpyrimidin-4-yl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 154788953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).