2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide

C10H15FN4O — CID 100690449

IUPAC2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
SMILESCCc1ncnc(N(CC)CC(N)=O)c1F
InChIInChI=1S/C10H15FN4O/c1-3-7-9(11)10(14-6-13-7)15(4-2)5-8(12)16/h6H,3-5H2,1-2H3,(H2,12,16)
InChIKeyXZZGOTGAUFYWKG-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.49
Rot. Bonds5

About 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide

2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide (PubChem CID 100690449) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
PubChem CID100690449
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
SMILESCCc1ncnc(N(CC)CC(N)=O)c1F
InChIInChI=1S/C10H15FN4O/c1-3-7-9(11)10(14-6-13-7)15(4-2)5-8(12)16/h6H,3-5H2,1-2H3,(H2,12,16)
InChIKeyXZZGOTGAUFYWKG-UHFFFAOYSA-N
XLogP0.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide (CID 100690449) is 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide is CCc1ncnc(N(CC)CC(N)=O)c1F.
What is the InChIKey of 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide?
The InChIKey is XZZGOTGAUFYWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-3-7-9(11)10(14-6-13-7)15(4-2)5-8(12)16/h6H,3-5H2,1-2H3,(H2,12,16).
What are the key properties of 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide?
2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide has a molecular weight of 226.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 100690449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).