1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione

C13H17N5O6 — CID 118005019

IUPAC1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione
SMILESCCc1cn(-c2cn([C@@H]3O[C@H](CO)C(O)[C@@H]3O)c(=O)[nH]c2=O)nn1
InChIInChI=1S/C13H17N5O6/c1-2-6-3-18(16-15-6)7-4-17(13(23)14-11(7)22)12-10(21)9(20)8(5-19)24-12/h3-4,8-10,12,19-21H,2,5H2,1H3,(H,14,22,23)/t8-,9?,10+,12-/m1/s1
InChIKeyGDPUFSKNOHDYHL-WSVRWTTQSA-N
MW339.31 g/mol
LogP-2.71
Rot. Bonds4

About 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione

1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione (PubChem CID 118005019) has the molecular formula C13H17N5O6 and a molecular weight of 339.31 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione
PubChem CID118005019
Molecular FormulaC13H17N5O6
Molecular Weight339.31 g/mol
Exact Mass339.12
IUPAC Name1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione
SMILESCCc1cn(-c2cn([C@@H]3O[C@H](CO)C(O)[C@@H]3O)c(=O)[nH]c2=O)nn1
InChIInChI=1S/C13H17N5O6/c1-2-6-3-18(16-15-6)7-4-17(13(23)14-11(7)22)12-10(21)9(20)8(5-19)24-12/h3-4,8-10,12,19-21H,2,5H2,1H3,(H,14,22,23)/t8-,9?,10+,12-/m1/s1
InChIKeyGDPUFSKNOHDYHL-WSVRWTTQSA-N
XLogP-2.71
TPSA155.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 5-2.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-ethyltriazol-1-yl)methyl]pyrimidine-2,4-dione
CID 123614346
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidin-2-one
CID 144823494
[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]boronic acid
CID 15037955
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
5-methyl-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7300708
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-hydroxyethyl)pyrimidine-2,4-dione
CID 57210215
5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14308790
5-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 7272022
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 7059460
1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 46876101

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione (CID 118005019) is 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione is CCc1cn(-c2cn([C@@H]3O[C@H](CO)C(O)[C@@H]3O)c(=O)[nH]c2=O)nn1.
What is the InChIKey of 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione?
The InChIKey is GDPUFSKNOHDYHL-WSVRWTTQSA-N. The full InChI is InChI=1S/C13H17N5O6/c1-2-6-3-18(16-15-6)7-4-17(13(23)14-11(7)22)12-10(21)9(20)8(5-19)24-12/h3-4,8-10,12,19-21H,2,5H2,1H3,(H,14,22,23)/t8-,9?,10+,12-/m1/s1.
What are the key properties of 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione?
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione has a molecular weight of 339.31 g/mol, XLogP of -2.71, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 118005019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).