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

C11H17FN4O — CID 113344286

IUPACN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1ncnc(CC)c1F
InChIInChI=1S/C11H17FN4O/c1-4-8-9(12)10(15-6-14-8)16-7(3)11(17)13-5-2/h6-7H,4-5H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyRXJVGQBIRFJMLT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.11
Rot. Bonds5

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

N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide (PubChem CID 113344286) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
PubChem CID113344286
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC NameN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1ncnc(CC)c1F
InChIInChI=1S/C11H17FN4O/c1-4-8-9(12)10(15-6-14-8)16-7(3)11(17)13-5-2/h6-7H,4-5H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyRXJVGQBIRFJMLT-UHFFFAOYSA-N
XLogP1.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide (CID 113344286) is N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide is CCNC(=O)C(C)Nc1ncnc(CC)c1F.
What is the InChIKey of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide?
The InChIKey is RXJVGQBIRFJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-4-8-9(12)10(15-6-14-8)16-7(3)11(17)13-5-2/h6-7H,4-5H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide?
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 113344286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).