1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione

C19H26N4O7 — CID 70261386

IUPAC1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC[C@@H](C)O2)c(=O)[nH]c1=O.O=c1ccn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O3.C9H12N2O4/c1-6-5-12(10(14)11-9(6)13)8-4-3-7(2)15-8;12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h5,7-8H,3-4H2,1-2H3,(H,11,13,14);3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t7-,8-;6-,8+/m10/s1
InChIKeyUDTSHIMXPYRYML-QCNBXOQKSA-N
MW422.44 g/mol
LogP-0.25
Rot. Bonds3

About 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 70261386) has the molecular formula C19H26N4O7 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID70261386
Molecular FormulaC19H26N4O7
Molecular Weight422.44 g/mol
Exact Mass422.18
IUPAC Name1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC[C@@H](C)O2)c(=O)[nH]c1=O.O=c1ccn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O3.C9H12N2O4/c1-6-5-12(10(14)11-9(6)13)8-4-3-7(2)15-8;12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h5,7-8H,3-4H2,1-2H3,(H,11,13,14);3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t7-,8-;6-,8+/m10/s1
InChIKeyUDTSHIMXPYRYML-QCNBXOQKSA-N
XLogP-0.25
TPSA148.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
diphosphono hydrogen phosphate;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 22823627
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[7-(hydroxymethyl)-5-methylideneoxepan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174347825
1-[(6S)-6-(hydroxymethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167109570

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 70261386) is 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione is Cc1cn([C@H]2CC[C@@H](C)O2)c(=O)[nH]c1=O.O=c1ccn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UDTSHIMXPYRYML-QCNBXOQKSA-N. The full InChI is InChI=1S/C10H14N2O3.C9H12N2O4/c1-6-5-12(10(14)11-9(6)13)8-4-3-7(2)15-8;12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h5,7-8H,3-4H2,1-2H3,(H,11,13,14);3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t7-,8-;6-,8+/m10/s1.
What are the key properties of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 422.44 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70261386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).