4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide

C13H21N3OS — CID 138047547

IUPAC4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCC(C)c1nc(C)cc(N2CCS(=O)CC2)n1
InChIInChI=1S/C13H21N3OS/c1-4-10(2)13-14-11(3)9-12(15-13)16-5-7-18(17)8-6-16/h9-10H,4-8H2,1-3H3
InChIKeyYBLDQTFWDJFDOQ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.87
Rot. Bonds3

About 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide

4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 138047547) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID138047547
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCC(C)c1nc(C)cc(N2CCS(=O)CC2)n1
InChIInChI=1S/C13H21N3OS/c1-4-10(2)13-14-11(3)9-12(15-13)16-5-7-18(17)8-6-16/h9-10H,4-8H2,1-3H3
InChIKeyYBLDQTFWDJFDOQ-UHFFFAOYSA-N
XLogP1.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (CID 138047547) is 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is CCC(C)c1nc(C)cc(N2CCS(=O)CC2)n1.
What is the InChIKey of 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is YBLDQTFWDJFDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-10(2)13-14-11(3)9-12(15-13)16-5-7-18(17)8-6-16/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 267.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 138047547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).