1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide

C11H17FN4O2S — CID 138030169

IUPAC1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
SMILESCCc1ncnc(NCC2(S(N)(=O)=O)CCC2)c1F
InChIInChI=1S/C11H17FN4O2S/c1-2-8-9(12)10(16-7-15-8)14-6-11(4-3-5-11)19(13,17)18/h7H,2-6H2,1H3,(H2,13,17,18)(H,14,15,16)
InChIKeyWOOCDLUMRLVYMR-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.80
Rot. Bonds5

About 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide

1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide (PubChem CID 138030169) has the molecular formula C11H17FN4O2S and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide.

Molecular Properties

Compound Name1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
PubChem CID138030169
Molecular FormulaC11H17FN4O2S
Molecular Weight288.35 g/mol
Exact Mass288.11
IUPAC Name1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
SMILESCCc1ncnc(NCC2(S(N)(=O)=O)CCC2)c1F
InChIInChI=1S/C11H17FN4O2S/c1-2-8-9(12)10(16-7-15-8)14-6-11(4-3-5-11)19(13,17)18/h7H,2-6H2,1H3,(H2,13,17,18)(H,14,15,16)
InChIKeyWOOCDLUMRLVYMR-UHFFFAOYSA-N
XLogP0.80
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide?
The IUPAC name of 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide (CID 138030169) is 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide.
What is the SMILES notation for 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide?
The canonical SMILES for 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide is CCc1ncnc(NCC2(S(N)(=O)=O)CCC2)c1F.
What is the InChIKey of 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide?
The InChIKey is WOOCDLUMRLVYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2S/c1-2-8-9(12)10(16-7-15-8)14-6-11(4-3-5-11)19(13,17)18/h7H,2-6H2,1H3,(H2,13,17,18)(H,14,15,16).
What are the key properties of 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide?
1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide has a molecular weight of 288.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide is sourced from PubChem (CID 138030169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).