1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione

C17H17N5O5 — CID 118005141

IUPAC1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
SMILESC[C@H]1O[C@@H](n2cc(-c3cn(-c4ccccc4)nn3)c(=O)[nH]c2=O)[C@@H](O)C1O
InChIInChI=1S/C17H17N5O5/c1-9-13(23)14(24)16(27-9)21-7-11(15(25)18-17(21)26)12-8-22(20-19-12)10-5-3-2-4-6-10/h2-9,13-14,16,23-24H,1H3,(H,18,25,26)/t9-,13?,14+,16-/m1/s1
InChIKeyAWFBYASILYFQHB-AYOMSBIMSA-N
MW371.35 g/mol
LogP-0.58
Rot. Bonds3

About 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione

1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione (PubChem CID 118005141) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
PubChem CID118005141
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
SMILESC[C@H]1O[C@@H](n2cc(-c3cn(-c4ccccc4)nn3)c(=O)[nH]c2=O)[C@@H](O)C1O
InChIInChI=1S/C17H17N5O5/c1-9-13(23)14(24)16(27-9)21-7-11(15(25)18-17(21)26)12-8-22(20-19-12)10-5-3-2-4-6-10/h2-9,13-14,16,23-24H,1H3,(H,18,25,26)/t9-,13?,14+,16-/m1/s1
InChIKeyAWFBYASILYFQHB-AYOMSBIMSA-N
XLogP-0.58
TPSA135.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione;methane
CID 159058169
1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 68506781
2-aminoacetic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 67362589
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]pyrimidine-2,4-dione
CID 51041060
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 101335357
1-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-5-[(1-phenyltriazol-4-yl)methyl]pyrimidine-2,4-dione
CID 144823767
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-phenyltriazol-1-yl)methyl]pyrimidine-2,4-dione
CID 118004942
5-[1-(2,6-difluorophenyl)triazol-4-yl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71589795
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 160781692
1-[(2R,5R)-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 71684674

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione (CID 118005141) is 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione is C[C@H]1O[C@@H](n2cc(-c3cn(-c4ccccc4)nn3)c(=O)[nH]c2=O)[C@@H](O)C1O.
What is the InChIKey of 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione?
The InChIKey is AWFBYASILYFQHB-AYOMSBIMSA-N. The full InChI is InChI=1S/C17H17N5O5/c1-9-13(23)14(24)16(27-9)21-7-11(15(25)18-17(21)26)12-8-22(20-19-12)10-5-3-2-4-6-10/h2-9,13-14,16,23-24H,1H3,(H,18,25,26)/t9-,13?,14+,16-/m1/s1.
What are the key properties of 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione?
1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione has a molecular weight of 371.35 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 118005141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).