5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine

C11H11FN4O2S — CID 175477707

IUPAC5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1nc(N)c(-c2ccc(F)cc2)c(N)n1
InChIInChI=1S/C11H11FN4O2S/c1-19(17,18)11-15-9(13)8(10(14)16-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyATXZPVLAIBTPLP-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.85
Rot. Bonds2

About 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine

5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine (PubChem CID 175477707) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
PubChem CID175477707
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1nc(N)c(-c2ccc(F)cc2)c(N)n1
InChIInChI=1S/C11H11FN4O2S/c1-19(17,18)11-15-9(13)8(10(14)16-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyATXZPVLAIBTPLP-UHFFFAOYSA-N
XLogP0.85
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine?
The IUPAC name of 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine (CID 175477707) is 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine?
The canonical SMILES for 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine is CS(=O)(=O)c1nc(N)c(-c2ccc(F)cc2)c(N)n1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine?
The InChIKey is ATXZPVLAIBTPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-19(17,18)11-15-9(13)8(10(14)16-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H4,13,14,15,16).
What are the key properties of 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine?
5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine has a molecular weight of 282.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine is sourced from PubChem (CID 175477707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).