1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione

C10H16N2O6 — CID 70640618

IUPAC1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione
SMILESCO[C@H](CO)[C@@H](O)[C@](C)(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O6/c1-10(17,8(15)6(5-13)18-2)12-4-3-7(14)11-9(12)16/h3-4,6,8,13,15,17H,5H2,1-2H3,(H,11,14,16)/t6-,8-,10+/m1/s1
InChIKeyFUQMOVGDVVHWOB-YNEQXMIYSA-N
MW260.25 g/mol
LogP-2.43
Rot. Bonds5

About 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione

1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione (PubChem CID 70640618) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione
PubChem CID70640618
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione
SMILESCO[C@H](CO)[C@@H](O)[C@](C)(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O6/c1-10(17,8(15)6(5-13)18-2)12-4-3-7(14)11-9(12)16/h3-4,6,8,13,15,17H,5H2,1-2H3,(H,11,14,16)/t6-,8-,10+/m1/s1
InChIKeyFUQMOVGDVVHWOB-YNEQXMIYSA-N
XLogP-2.43
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione
CID 126692786
(2S)-2-[(2R,3S)-1,3-dihydroxybutan-2-yl]oxy-2-(2,4-dioxopyrimidin-1-yl)propanenitrile
CID 70914999
2-[[[3,4-dihydroxy-2-methoxy-4-(4-oxo-2-sulfanylidenepyrimidin-1-yl)pentoxy]-hydroxyphosphoryl]amino]propanoic acid
CID 167036384
(2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol
CID 129302092
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
CID 145045789
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
propan-2-yl 2-[[[(3S)-3,4-dihydroxy-2-methoxy-4-(4-oxo-2-sulfanylidenepyrimidin-1-yl)pentoxy]-phenoxyphosphoryl]amino]propanoate
CID 167036374
methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]-3-hydroxypropanoate
CID 10570237
1-(3-methylheptan-3-yl)pyrimidine-2,4-dione
CID 155076670
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione
CID 170067421

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione (CID 70640618) is 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione is CO[C@H](CO)[C@@H](O)[C@](C)(O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione?
The InChIKey is FUQMOVGDVVHWOB-YNEQXMIYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-10(17,8(15)6(5-13)18-2)12-4-3-7(14)11-9(12)16/h3-4,6,8,13,15,17H,5H2,1-2H3,(H,11,14,16)/t6-,8-,10+/m1/s1.
What are the key properties of 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione?
1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione has a molecular weight of 260.25 g/mol, XLogP of -2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70640618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).