2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

C10H17FN4O2S — CID 50978775

IUPAC2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCS(=O)(=O)CCNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C10H17FN4O2S/c1-4-18(16,17)6-5-12-10-13-7-8(11)9(14-10)15(2)3/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyMJFRNPPCUGOFTK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.53
Rot. Bonds6

About 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 50978775) has the molecular formula C10H17FN4O2S and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID50978775
Molecular FormulaC10H17FN4O2S
Molecular Weight276.34 g/mol
Exact Mass276.11
IUPAC Name2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCS(=O)(=O)CCNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C10H17FN4O2S/c1-4-18(16,17)6-5-12-10-13-7-8(11)9(14-10)15(2)3/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyMJFRNPPCUGOFTK-UHFFFAOYSA-N
XLogP0.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 50978775) is 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine is CCS(=O)(=O)CCNc1ncc(F)c(N(C)C)n1.
What is the InChIKey of 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is MJFRNPPCUGOFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O2S/c1-4-18(16,17)6-5-12-10-13-7-8(11)9(14-10)15(2)3/h7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 276.34 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylsulfonylethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50978775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).