N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide

C8H10FN3O — CID 58367416

IUPACN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ncc(F)cn1
InChIInChI=1S/C8H10FN3O/c1-5(12-6(2)13)8-10-3-7(9)4-11-8/h3-5H,1-2H3,(H,12,13)/t5-/m0/s1
InChIKeyPEZGEWRPYXVHEJ-YFKPBYRVSA-N
MW183.19 g/mol
LogP0.81
Rot. Bonds2

About N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide

N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide (PubChem CID 58367416) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
PubChem CID58367416
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ncc(F)cn1
InChIInChI=1S/C8H10FN3O/c1-5(12-6(2)13)8-10-3-7(9)4-11-8/h3-5H,1-2H3,(H,12,13)/t5-/m0/s1
InChIKeyPEZGEWRPYXVHEJ-YFKPBYRVSA-N
XLogP0.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(5-fluoropyrimidin-2-yl)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-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
1-(5-Fluoropyrimidin-2-yl)ethan-1-amine hydrochloride
CID 53407050
(R)-1-(5-Fluoropyrimidin-2-yl)ethanamine hydrochloride
CID 67123856
N-(2-methylpyrimidin-5-yl)prop-2-enamide
CID 130920019
N-(1-(5-Fluoropyrimidin-2-yl)vinyl)acetamide
CID 45119272
1-(5-Fluoropyrimidin-2-yl)ethan-1-amine
CID 50994814
(S)-1-(5-Fluoropyrimidin-2-YL)ethanamine
CID 55285341
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
CID 71974232
N-(2-methylpyrimidin-5-yl)propanamide
CID 126991142
N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 71996239
N-((4-(dimethylamino)pyrimidin-2-yl)methyl)propionamide
CID 72718206

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide (CID 58367416) is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide is CC(=O)N[C@@H](C)c1ncc(F)cn1.
What is the InChIKey of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide?
The InChIKey is PEZGEWRPYXVHEJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-5(12-6(2)13)8-10-3-7(9)4-11-8/h3-5H,1-2H3,(H,12,13)/t5-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide?
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide has a molecular weight of 183.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 58367416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).