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

C10H14N2O5 — CID 165155999

IUPAC1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILES[3H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)C1(C)O
InChIInChI=1S/C10H14N2O5/c1-5-10(2,16)7(14)8(17-5)12-4-3-6(13)11-9(12)15/h3-5,7-8,14,16H,1-2H3,(H,11,13,15)/t5-,7-,8-,10?/m1/s1/i1T
InChIKeyRRZJXSDGSSLJEF-ILWYSVNVSA-N
MW244.24 g/mol
LogP-1.43
Rot. Bonds2

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

1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 165155999) has the molecular formula C10H14N2O5 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID165155999
Molecular FormulaC10H14N2O5
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILES[3H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)C1(C)O
InChIInChI=1S/C10H14N2O5/c1-5-10(2,16)7(14)8(17-5)12-4-3-6(13)11-9(12)15/h3-5,7-8,14,16H,1-2H3,(H,11,13,15)/t5-,7-,8-,10?/m1/s1/i1T
InChIKeyRRZJXSDGSSLJEF-ILWYSVNVSA-N
XLogP-1.43
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 510970
1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(113C)methyloxolan-2-yl]pyrimidine-2,4-dione
CID 134258297
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 25050618
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57259416
1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione
CID 123907819
1-[(1S,3R,4S,7R)-1-(deuteriomethyl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 58338739
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]phosphonic acid
CID 138471013
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
1-[(8R)-4,8-dihydroxy-7-(hydroxymethyl)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepin-5-yl]pyrimidine-2,4-dione
CID 71171817
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(3-methoxy-2-methyloxiran-2-yl)oxolan-2-yl]pyrimidine-2,4-dione
CID 87169976

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 165155999) is 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione is [3H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)C1(C)O.
What is the InChIKey of 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is RRZJXSDGSSLJEF-ILWYSVNVSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5-10(2,16)7(14)8(17-5)12-4-3-6(13)11-9(12)15/h3-5,7-8,14,16H,1-2H3,(H,11,13,15)/t5-,7-,8-,10?/m1/s1/i1T.
What are the key properties of 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 244.24 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-3,4-dihydroxy-4-methyl-5-(tritiomethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 165155999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).