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

C15H21N5O6 — CID 144823675

IUPAC5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)c1cn(Cc2[nH]c(=O)[nH]c(=O)c2[C@@H]2O[C@H](CO)C(O)C2O)nn1
InChIInChI=1S/C15H21N5O6/c1-6(2)7-3-20(19-18-7)4-8-10(14(24)17-15(25)16-8)13-12(23)11(22)9(5-21)26-13/h3,6,9,11-13,21-23H,4-5H2,1-2H3,(H2,16,17,24,25)/t9-,11?,12?,13+/m1/s1
InChIKeyOSRWBEAMTGKXCK-QWCHVHKLSA-N
MW367.36 g/mol
LogP-2.02
Rot. Bonds5

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

5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 144823675) has the molecular formula C15H21N5O6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID144823675
Molecular FormulaC15H21N5O6
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC Name5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)c1cn(Cc2[nH]c(=O)[nH]c(=O)c2[C@@H]2O[C@H](CO)C(O)C2O)nn1
InChIInChI=1S/C15H21N5O6/c1-6(2)7-3-20(19-18-7)4-8-10(14(24)17-15(25)16-8)13-12(23)11(22)9(5-21)26-13/h3,6,9,11-13,21-23H,4-5H2,1-2H3,(H2,16,17,24,25)/t9-,11?,12?,13+/m1/s1
InChIKeyOSRWBEAMTGKXCK-QWCHVHKLSA-N
XLogP-2.02
TPSA166.35 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(1-ethyltriazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 144823594
[[(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
5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 123806664
[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-tert-butyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 175993283
4-amino-5-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-triazin-6-one
CID 135993856
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-phenyltriazol-1-yl)methyl]pyrimidine-2,4-dione
CID 118004942
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-ethyltriazol-1-yl)methyl]pyrimidine-2,4-dione
CID 123614346
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
1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123640794
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
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-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 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) is 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-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-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione is CC(C)c1cn(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-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OSRWBEAMTGKXCK-QWCHVHKLSA-N. The full InChI is InChI=1S/C15H21N5O6/c1-6(2)7-3-20(19-18-7)4-8-10(14(24)17-15(25)16-8)13-12(23)11(22)9(5-21)26-13/h3,6,9,11-13,21-23H,4-5H2,1-2H3,(H2,16,17,24,25)/t9-,11?,12?,13+/m1/s1.
What are the key properties of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 367.36 g/mol, XLogP of -2.02, 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-[(4-propan-2-yltriazol-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144823675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).