N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine

C12H19FN4O2S2 — CID 80834549

IUPACN-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCSCC2S(=O)(=O)CC)n1
InChIInChI=1S/C12H19FN4O2S2/c1-3-14-12-15-7-9(13)11(16-12)17-5-6-20-8-10(17)21(18,19)4-2/h7,10H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyLJZIUTKIMKUGEC-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.36
Rot. Bonds5

About N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine

N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80834549) has the molecular formula C12H19FN4O2S2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine
PubChem CID80834549
Molecular FormulaC12H19FN4O2S2
Molecular Weight334.44 g/mol
Exact Mass334.09
IUPAC NameN-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCSCC2S(=O)(=O)CC)n1
InChIInChI=1S/C12H19FN4O2S2/c1-3-14-12-15-7-9(13)11(16-12)17-5-6-20-8-10(17)21(18,19)4-2/h7,10H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyLJZIUTKIMKUGEC-UHFFFAOYSA-N
XLogP1.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
2-methyl-4-[N,N-dimethylsulfamoyl-piperazino]-pyrimidine
CID 19883994
N~2~-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-N~4~,N~4~,5-trimethylpyrimidine-2,4-diamine
CID 50955867
N-(1,1-dioxidotetrahydro-3-thienyl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50958997
N~2~-[2-(cyclohexylthio)ethyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 72845303
N,N-dimethyl-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 75507839
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 77080738
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 97130364
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 136519674
2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 164640661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine (CID 80834549) is N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(N2CCSCC2S(=O)(=O)CC)n1.
What is the InChIKey of N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is LJZIUTKIMKUGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2S2/c1-3-14-12-15-7-9(13)11(16-12)17-5-6-20-8-10(17)21(18,19)4-2/h7,10H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine?
N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 334.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80834549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).