5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione

C14H19N5O6 — CID 144823594

IUPAC5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCn1cc(Cc2[nH]c(=O)[nH]c(=O)c2[C@@H]2O[C@H](CO)C(O)C2O)nn1
InChIInChI=1S/C14H19N5O6/c1-2-19-4-6(17-18-19)3-7-9(13(23)16-14(24)15-7)12-11(22)10(21)8(5-20)25-12/h4,8,10-12,20-22H,2-3,5H2,1H3,(H2,15,16,23,24)/t8-,10?,11?,12+/m1/s1
InChIKeyUFXWQYAQTHIBIJ-RVHAWEMESA-N
MW353.34 g/mol
LogP-2.58
Rot. Bonds5

About 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione

5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 144823594) has the molecular formula C14H19N5O6 and a molecular weight of 353.34 g/mol. Its IUPAC name is 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID144823594
Molecular FormulaC14H19N5O6
Molecular Weight353.34 g/mol
Exact Mass353.13
IUPAC Name5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCn1cc(Cc2[nH]c(=O)[nH]c(=O)c2[C@@H]2O[C@H](CO)C(O)C2O)nn1
InChIInChI=1S/C14H19N5O6/c1-2-19-4-6(17-18-19)3-7-9(13(23)16-14(24)15-7)12-11(22)10(21)8(5-20)25-12/h4,8,10-12,20-22H,2-3,5H2,1H3,(H2,15,16,23,24)/t8-,10?,11?,12+/m1/s1
InChIKeyUFXWQYAQTHIBIJ-RVHAWEMESA-N
XLogP-2.58
TPSA166.35 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 123806664
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 144823675
6-tert-butyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 175993283
[[(2R,4S,5S)-3,4-dihydroxy-5-[6-[(4-methyltriazol-1-yl)methyl]-2,4-dioxo-1H-pyrimidin-5-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 122543263
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-ethyltriazol-1-yl)methyl]pyrimidine-2,4-dione
CID 123614346
5-[(1-benzyltriazol-4-yl)methyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123879590
1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123640794
[1-[(2R,4S,5S)-5-[2,4-dioxo-6-[(4-phenyltriazol-1-yl)methyl]-1H-pyrimidin-5-yl]-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-pentan-3-ylphosphinic acid
CID 118004865
6-hydroxy-1-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 24865960
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione
CID 123727350
6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 118005174
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 66795639

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione (CID 144823594) is 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione is CCn1cc(Cc2[nH]c(=O)[nH]c(=O)c2[C@@H]2O[C@H](CO)C(O)C2O)nn1.
What is the InChIKey of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UFXWQYAQTHIBIJ-RVHAWEMESA-N. The full InChI is InChI=1S/C14H19N5O6/c1-2-19-4-6(17-18-19)3-7-9(13(23)16-14(24)15-7)12-11(22)10(21)8(5-20)25-12/h4,8,10-12,20-22H,2-3,5H2,1H3,(H2,15,16,23,24)/t8-,10?,11?,12+/m1/s1.
What are the key properties of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 353.34 g/mol, XLogP of -2.58, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144823594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).