3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one

C10H16N2O5 — CID 140657049

IUPAC3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one
SMILES[2H]C([2H])(O)[C@H]1OC(N2C=CCNC2=O)[C@](C)(O)[C@@H]1O
InChIInChI=1S/C10H16N2O5/c1-10(16)7(14)6(5-13)17-8(10)12-4-2-3-11-9(12)15/h2,4,6-8,13-14,16H,3,5H2,1H3,(H,11,15)/t6-,7-,8?,10-/m1/s1/i5D2
InChIKeyQYVFYRUYNSTRFX-MEERQNJESA-N
MW246.26 g/mol
LogP-1.65
Rot. Bonds2

About 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one

3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one (PubChem CID 140657049) has the molecular formula C10H16N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one
PubChem CID140657049
Molecular FormulaC10H16N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one
SMILES[2H]C([2H])(O)[C@H]1OC(N2C=CCNC2=O)[C@](C)(O)[C@@H]1O
InChIInChI=1S/C10H16N2O5/c1-10(16)7(14)6(5-13)17-8(10)12-4-2-3-11-9(12)15/h2,4,6-8,13-14,16H,3,5H2,1H3,(H,11,15)/t6-,7-,8?,10-/m1/s1/i5D2
InChIKeyQYVFYRUYNSTRFX-MEERQNJESA-N
XLogP-1.65
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
CID 20810150
[3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 123210695
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(113C)methyloxolan-2-yl]pyrimidine-2,4-dione
CID 134258297
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91153756
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5H-purin-6-one
CID 156588757
[3a,6-dimethyl-4-(2-oxo-1,6-dihydropyrimidin-3-yl)spiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-yl]methyl benzoate
CID 123759552
(4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58807999
CID 140732651
CID 140732651
methyl 4-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxylate
CID 59563126
(3R,4R,5R)-2-(6-chloro-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-3-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 143012539
3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 129152249
1-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 174299087

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one (CID 140657049) is 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one is [2H]C([2H])(O)[C@H]1OC(N2C=CCNC2=O)[C@](C)(O)[C@@H]1O.
What is the InChIKey of 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The InChIKey is QYVFYRUYNSTRFX-MEERQNJESA-N. The full InChI is InChI=1S/C10H16N2O5/c1-10(16)7(14)6(5-13)17-8(10)12-4-2-3-11-9(12)15/h2,4,6-8,13-14,16H,3,5H2,1H3,(H,11,15)/t6-,7-,8?,10-/m1/s1/i5D2.
What are the key properties of 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one?
3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one has a molecular weight of 246.26 g/mol, XLogP of -1.65, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 140657049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).