2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C14H17FN4O2S — CID 133383634

IUPAC2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NCCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O2S/c1-19(2)13-7-8-16-14(18-13)17-9-10-22(20,21)12-5-3-11(15)4-6-12/h3-8H,9-10H2,1-2H3,(H,16,17,18)
InChIKeyFEENTWINHMZNLH-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.57
Rot. Bonds6

About 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 133383634) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID133383634
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NCCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O2S/c1-19(2)13-7-8-16-14(18-13)17-9-10-22(20,21)12-5-3-11(15)4-6-12/h3-8H,9-10H2,1-2H3,(H,16,17,18)
InChIKeyFEENTWINHMZNLH-UHFFFAOYSA-N
XLogP1.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
CID 106512341
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine
CID 137341731
4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 133381954
4-N,4-N-dimethyl-2-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
CID 133398596
1-(2-tert-butylsulfonylethylsulfonyl)-4-fluorobenzene
CID 103705360
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
CID 23026609
4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine
CID 135116152
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 135105675

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 133383634) is 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1ccnc(NCCS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is FEENTWINHMZNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-19(2)13-7-8-16-14(18-13)17-9-10-22(20,21)12-5-3-11(15)4-6-12/h3-8H,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 324.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 133383634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).