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

C8H11FN4O — CID 164645422

IUPACN-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccnc(F)n1
InChIInChI=1S/C8H11FN4O/c1-6(14)10-4-5-11-7-2-3-12-8(9)13-7/h2-3H,4-5H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyOIMZHGIXEXOXSW-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.16
Rot. Bonds4

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

N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 164645422) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID164645422
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC NameN-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccnc(F)n1
InChIInChI=1S/C8H11FN4O/c1-6(14)10-4-5-11-7-2-3-12-8(9)13-7/h2-3H,4-5H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyOIMZHGIXEXOXSW-UHFFFAOYSA-N
XLogP0.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
N-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]acetamide
CID 80786842
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
2-fluoro-N-pent-4-ynylpyrimidin-4-amine
CID 164645331
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 75424390
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
N-[2-[(4-carbamothioylpyrimidin-2-yl)amino]ethyl]acetamide
CID 107546643
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503
N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]acetamide
CID 126990889
N-[2-[(5-amino-7-fluoroisoquinolin-1-yl)amino]ethyl]acetamide
CID 82570423
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-4-chlorobenzamide
CID 133334324

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide (CID 164645422) is N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1ccnc(F)n1.
What is the InChIKey of N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is OIMZHGIXEXOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c1-6(14)10-4-5-11-7-2-3-12-8(9)13-7/h2-3H,4-5H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 198.20 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 164645422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).