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

C12H17N3O4 — CID 139418553

IUPACN-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCC(CCO)O2)c(=O)n1
InChIInChI=1S/C12H17N3O4/c1-8(17)13-10-4-6-15(12(18)14-10)11-3-2-9(19-11)5-7-16/h4,6,9,11,16H,2-3,5,7H2,1H3,(H,13,14,17,18)
InChIKeyFIEGAIUQKREJLR-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.26
Rot. Bonds4

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

N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 139418553) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID139418553
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCC(CCO)O2)c(=O)n1
InChIInChI=1S/C12H17N3O4/c1-8(17)13-10-4-6-15(12(18)14-10)11-3-2-9(19-11)5-7-16/h4,6,9,11,16H,2-3,5,7H2,1H3,(H,13,14,17,18)
InChIKeyFIEGAIUQKREJLR-UHFFFAOYSA-N
XLogP0.26
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-Acetylcytidine
CID 107461
N4-Acetyl-2'-deoxycytidine
CID 11346228
N-Acetylcytosine arabinoside
CID 269438
Streptcytosine H
CID 145721209
N4-Ethyl-2'-deoxycytidine
CID 11425350
N-[1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]acetamide
CID 474461
N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 54768282
Streptcytosine I
CID 145721210
N4-Ethyl-2 inverted exclamation mark-deoxycytidine
CID 168265855
Acetamide, N-(1-beta-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-
CID 83533
N-[1-[(2R,3R,5S)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]acetamide
CID 473451
N-[1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]propanamide
CID 476788

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 139418553) is N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn(C2CCC(CCO)O2)c(=O)n1.
What is the InChIKey of N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is FIEGAIUQKREJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(17)13-10-4-6-15(12(18)14-10)11-3-2-9(19-11)5-7-16/h4,6,9,11,16H,2-3,5,7H2,1H3,(H,13,14,17,18).
What are the key properties of N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 267.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 139418553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).