4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide

C10H12F3N3O2S — CID 130244046

IUPAC4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cnc(N2CCS(=O)(=O)CC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2S/c1-7-6-14-9(15-8(7)10(11,12)13)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3
InChIKeySBHZGVBNYDMVNT-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.04
Rot. Bonds1

About 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide

4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 130244046) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID130244046
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cnc(N2CCS(=O)(=O)CC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2S/c1-7-6-14-9(15-8(7)10(11,12)13)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3
InChIKeySBHZGVBNYDMVNT-UHFFFAOYSA-N
XLogP1.04
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Ethyl-2-methylpyrimidin-4-yl)thiomorpholine 1,1-dioxide
CID 50967110
7-[2-(trifluoromethylsulfonyl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53570786
N-[[(2R)-1,1-dioxothian-2-yl]methyl]-4,5-dimethylpyrimidin-2-amine
CID 164635216
(4,5-Dimethylpyrimidin-2-yl) trifluoromethanesulfonate
CID 57531682
5-(1-Methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
CID 67212781
5-(2-Methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
CID 67212782
5-(1-Methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine
CID 70904995
2-(4,4-Difluoropiperidin-1-yl)-4,5-dimethylpyrimidine
CID 118893849
4-Methyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine
CID 123371274
4-[5-Propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
CID 130210252
5-[2-[2-(2,4-Difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine
CID 139637204
4-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
CID 146418063

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide (CID 130244046) is 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide is Cc1cnc(N2CCS(=O)(=O)CC2)nc1C(F)(F)F.
What is the InChIKey of 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is SBHZGVBNYDMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-7-6-14-9(15-8(7)10(11,12)13)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3.
What are the key properties of 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide?
4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 295.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 130244046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).