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

C10H15FN4O — CID 103879744

IUPACN-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide
SMILESCCc1ncnc(NCCNC(C)=O)c1F
InChIInChI=1S/C10H15FN4O/c1-3-8-9(11)10(15-6-14-8)13-5-4-12-7(2)16/h6H,3-5H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyRKKDPXLVDYSION-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.73
Rot. Bonds5

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

N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 103879744) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID103879744
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC NameN-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide
SMILESCCc1ncnc(NCCNC(C)=O)c1F
InChIInChI=1S/C10H15FN4O/c1-3-8-9(11)10(15-6-14-8)13-5-4-12-7(2)16/h6H,3-5H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyRKKDPXLVDYSION-UHFFFAOYSA-N
XLogP0.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide (CID 103879744) is N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide is CCc1ncnc(NCCNC(C)=O)c1F.
What is the InChIKey of N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is RKKDPXLVDYSION-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-3-8-9(11)10(15-6-14-8)13-5-4-12-7(2)16/h6H,3-5H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 226.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 103879744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).