N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide

C12H16FN3O4 — CID 76815647

IUPACN-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
SMILESCCC1OC(n2ccc(NC(C)=O)nc2=O)C(F)C1O
InChIInChI=1S/C12H16FN3O4/c1-3-7-10(18)9(13)11(20-7)16-5-4-8(14-6(2)17)15-12(16)19/h4-5,7,9-11,18H,3H2,1-2H3,(H,14,15,17,19)
InChIKeyOUTJYPKEGZJJNA-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.21
Rot. Bonds3

About N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide

N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide (PubChem CID 76815647) has the molecular formula C12H16FN3O4 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
PubChem CID76815647
Molecular FormulaC12H16FN3O4
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC NameN-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
SMILESCCC1OC(n2ccc(NC(C)=O)nc2=O)C(F)C1O
InChIInChI=1S/C12H16FN3O4/c1-3-7-10(18)9(13)11(20-7)16-5-4-8(14-6(2)17)15-12(16)19/h4-5,7,9-11,18H,3H2,1-2H3,(H,14,15,17,19)
InChIKeyOUTJYPKEGZJJNA-UHFFFAOYSA-N
XLogP0.21
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-Acetylcytidine
CID 107461
2'-Deoxy-2'-fluorocytidine
CID 101507
N4-Acetyl-2'-deoxycytidine
CID 11346228
2'-Fluoro-2'-deoxy-arabinofuranosyl-cytidine
CID 151382
4-Amino-1-((2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
CID 71621353
N-Acetylcytosine arabinoside
CID 269438
N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide
CID 46903720
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-11-hydroxyundecanamide
CID 76310246
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]undecanamide
CID 76321202
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-11-fluoroundecanamide
CID 76335663
Hdac6-IN-12
CID 164887522
2\'-Deoxy-2\'-fluorocytidine
CID 352976

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide (CID 76815647) is N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide is CCC1OC(n2ccc(NC(C)=O)nc2=O)C(F)C1O.
What is the InChIKey of N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is OUTJYPKEGZJJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-3-7-10(18)9(13)11(20-7)16-5-4-8(14-6(2)17)15-12(16)19/h4-5,7,9-11,18H,3H2,1-2H3,(H,14,15,17,19).
What are the key properties of N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide?
N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 285.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 76815647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).