N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide

C12H18FN5O2 — CID 50976549

IUPACN-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C12H18FN5O2/c1-9(19)14-2-3-15-12-16-8-10(13)11(17-12)18-4-6-20-7-5-18/h8H,2-7H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyNGLPTLLQJCLMBE-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.00
Rot. Bonds5

About N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide

N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide (PubChem CID 50976549) has the molecular formula C12H18FN5O2 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
PubChem CID50976549
Molecular FormulaC12H18FN5O2
Molecular Weight283.31 g/mol
Exact Mass283.14
IUPAC NameN-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C12H18FN5O2/c1-9(19)14-2-3-15-12-16-8-10(13)11(17-12)18-4-6-20-7-5-18/h8H,2-7H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyNGLPTLLQJCLMBE-UHFFFAOYSA-N
XLogP0.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide (CID 50976549) is N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The InChIKey is NGLPTLLQJCLMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O2/c1-9(19)14-2-3-15-12-16-8-10(13)11(17-12)18-4-6-20-7-5-18/h8H,2-7H2,1H3,(H,14,19)(H,15,16,17).
What are the key properties of N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide?
N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide has a molecular weight of 283.31 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 50976549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).