N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide

C17H19N3O6 — CID 10832420

IUPACN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1ccccc1
InChIInChI=1S/C17H19N3O6/c1-9(22)18-15-11(10-5-3-2-4-6-10)7-20(17(25)19-15)16-14(24)13(23)12(8-21)26-16/h2-7,12-14,16,21,23-24H,8H2,1H3,(H,18,19,22,25)/t12-,13-,14-,16-/m1/s1
InChIKeyMMRNITLGWPHXDS-IXYNUQLISA-N
MW361.35 g/mol
LogP-0.52
Rot. Bonds4

About N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide

N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide (PubChem CID 10832420) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide
PubChem CID10832420
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1ccccc1
InChIInChI=1S/C17H19N3O6/c1-9(22)18-15-11(10-5-3-2-4-6-10)7-20(17(25)19-15)16-14(24)13(23)12(8-21)26-16/h2-7,12-14,16,21,23-24H,8H2,1H3,(H,18,19,22,25)/t12-,13-,14-,16-/m1/s1
InChIKeyMMRNITLGWPHXDS-IXYNUQLISA-N
XLogP-0.52
TPSA133.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide (CID 10832420) is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide is CC(=O)Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1ccccc1.
What is the InChIKey of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide?
The InChIKey is MMRNITLGWPHXDS-IXYNUQLISA-N. The full InChI is InChI=1S/C17H19N3O6/c1-9(22)18-15-11(10-5-3-2-4-6-10)7-20(17(25)19-15)16-14(24)13(23)12(8-21)26-16/h2-7,12-14,16,21,23-24H,8H2,1H3,(H,18,19,22,25)/t12-,13-,14-,16-/m1/s1.
What are the key properties of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide?
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide has a molecular weight of 361.35 g/mol, XLogP of -0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-5-phenylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 10832420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).