N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide

C12H17N3O3 — CID 91255616

IUPACN-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
SMILESCCC1CCC(n2ccc(NC(C)=O)nc2=O)O1
InChIInChI=1S/C12H17N3O3/c1-3-9-4-5-11(18-9)15-7-6-10(13-8(2)16)14-12(15)17/h6-7,9,11H,3-5H2,1-2H3,(H,13,14,16,17)
InChIKeyHYNGWANAEVRCJK-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.29
Rot. Bonds3

About N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide

N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide (PubChem CID 91255616) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
PubChem CID91255616
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
SMILESCCC1CCC(n2ccc(NC(C)=O)nc2=O)O1
InChIInChI=1S/C12H17N3O3/c1-3-9-4-5-11(18-9)15-7-6-10(13-8(2)16)14-12(15)17/h6-7,9,11H,3-5H2,1-2H3,(H,13,14,16,17)
InChIKeyHYNGWANAEVRCJK-UHFFFAOYSA-N
XLogP1.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2',3'-Dideoxy-N4,5'-O-dipropionylcytidine
CID 476787
Deoxy-deoxy-deoxy-cytidine
CID 59859735
N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 58534039
N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 59408210
N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 91343531
N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 118260008
4-Amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one
CID 123624725
4-Amino-1-(3-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one
CID 144625635
4-Amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one
CID 154522632
N-acetyl 2',3'-dideoxycytidine 5'-acetate
CID 14750607
N-[1-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
CID 76815647
4-amino-1-[(2R)-5-ethyl-3,3-difluorooxolan-2-yl]pyrimidin-2-one
CID 144352370

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide (CID 91255616) is N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide is CCC1CCC(n2ccc(NC(C)=O)nc2=O)O1.
What is the InChIKey of N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is HYNGWANAEVRCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-9-4-5-11(18-9)15-7-6-10(13-8(2)16)14-12(15)17/h6-7,9,11H,3-5H2,1-2H3,(H,13,14,16,17).
What are the key properties of N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide?
N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 91255616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).