4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

C12H18FN3O2S — CID 133419745

IUPAC4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCCc1ncnc(N2CCS(=O)(=O)C(C)(C)C2)c1F
InChIInChI=1S/C12H18FN3O2S/c1-4-9-10(13)11(15-8-14-9)16-5-6-19(17,18)12(2,3)7-16/h8H,4-7H2,1-3H3
InChIKeyYEMOBHIAMQVVBI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.19
Rot. Bonds2

About 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 133419745) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID133419745
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCCc1ncnc(N2CCS(=O)(=O)C(C)(C)C2)c1F
InChIInChI=1S/C12H18FN3O2S/c1-4-9-10(13)11(15-8-14-9)16-5-6-19(17,18)12(2,3)7-16/h8H,4-7H2,1-3H3
InChIKeyYEMOBHIAMQVVBI-UHFFFAOYSA-N
XLogP1.19
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 133418605
4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 155974017
(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane
CID 135106997
[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880
1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 103880054
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482545
2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422469
1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171337746
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 75379030
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
CID 133420422

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (CID 133419745) is 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is CCc1ncnc(N2CCS(=O)(=O)C(C)(C)C2)c1F.
What is the InChIKey of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is YEMOBHIAMQVVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-4-9-10(13)11(15-8-14-9)16-5-6-19(17,18)12(2,3)7-16/h8H,4-7H2,1-3H3.
What are the key properties of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 287.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 133419745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).