1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide

C15H21N3O7 — CID 70667422

IUPAC1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C15H21N3O7/c19-7-11-10(20)4-12(25-11)18-6-9(14(22)17-15(18)23)13(21)16-5-8-2-1-3-24-8/h6,8,10-12,19-20H,1-5,7H2,(H,16,21)(H,17,22,23)/t8-,10?,11+,12+/m0/s1
InChIKeyGLDHWGKBUUFZFZ-MKGKNJBMSA-N
MW355.35 g/mol
LogP-1.91
Rot. Bonds5

About 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide

1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 70667422) has the molecular formula C15H21N3O7 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
PubChem CID70667422
Molecular FormulaC15H21N3O7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC Name1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C15H21N3O7/c19-7-11-10(20)4-12(25-11)18-6-9(14(22)17-15(18)23)13(21)16-5-8-2-1-3-24-8/h6,8,10-12,19-20H,1-5,7H2,(H,16,21)(H,17,22,23)/t8-,10?,11+,12+/m0/s1
InChIKeyGLDHWGKBUUFZFZ-MKGKNJBMSA-N
XLogP-1.91
TPSA142.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 70667421
[(2R,5R)-5-[2,4-dioxo-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58508402
N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 123895707
N-[(4-fluorophenyl)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 66988610
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-methylprop-2-enoyl)pyrimidine-2,4-dione
CID 67939748
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-phenylethenyl)pyrimidine-2,4-dione
CID 11782475
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;prop-1-ene
CID 67826659
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidine-2,4-dione
CID 71752342
5-[(E)-1-chloroprop-1-en-2-yl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6479140

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide (CID 70667422) is 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide is O=C(NC[C@@H]1CCCO1)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is GLDHWGKBUUFZFZ-MKGKNJBMSA-N. The full InChI is InChI=1S/C15H21N3O7/c19-7-11-10(20)4-12(25-11)18-6-9(14(22)17-15(18)23)13(21)16-5-8-2-1-3-24-8/h6,8,10-12,19-20H,1-5,7H2,(H,16,21)(H,17,22,23)/t8-,10?,11+,12+/m0/s1.
What are the key properties of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 355.35 g/mol, XLogP of -1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 70667422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).