N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C10H13N3O4 — CID 54768282

IUPACN-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2C[C@@H](O)CO2)c(=O)n1
InChIInChI=1S/C10H13N3O4/c1-6(14)11-8-2-3-13(10(16)12-8)9-4-7(15)5-17-9/h2-3,7,9,15H,4-5H2,1H3,(H,11,12,14,16)/t7-,9-/m1/s1
InChIKeyLCBWYRGPOFZIKH-VXNVDRBHSA-N
MW239.23 g/mol
LogP-0.52
Rot. Bonds2

About N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 54768282) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID54768282
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2C[C@@H](O)CO2)c(=O)n1
InChIInChI=1S/C10H13N3O4/c1-6(14)11-8-2-3-13(10(16)12-8)9-4-7(15)5-17-9/h2-3,7,9,15H,4-5H2,1H3,(H,11,12,14,16)/t7-,9-/m1/s1
InChIKeyLCBWYRGPOFZIKH-VXNVDRBHSA-N
XLogP-0.52
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 54768282) is N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn([C@H]2C[C@@H](O)CO2)c(=O)n1.
What is the InChIKey of N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is LCBWYRGPOFZIKH-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6(14)11-8-2-3-13(10(16)12-8)9-4-7(15)5-17-9/h2-3,7,9,15H,4-5H2,1H3,(H,11,12,14,16)/t7-,9-/m1/s1.
What are the key properties of N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 239.23 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4R)-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 54768282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).