1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione

C10H16N2O5 — CID 160757174

IUPAC1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESCC[C@H](CO)OC(CO)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O5/c1-2-7(5-13)17-9(6-14)12-4-3-8(15)11-10(12)16/h3-4,7,9,13-14H,2,5-6H2,1H3,(H,11,15,16)/t7-,9?/m1/s1
InChIKeyAQXBIYPYCXUQAX-YOXFSPIKSA-N
MW244.25 g/mol
LogP-1.18
Rot. Bonds6

About 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione

1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione (PubChem CID 160757174) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
PubChem CID160757174
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESCC[C@H](CO)OC(CO)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O5/c1-2-7(5-13)17-9(6-14)12-4-3-8(15)11-10(12)16/h3-4,7,9,13-14H,2,5-6H2,1H3,(H,11,15,16)/t7-,9?/m1/s1
InChIKeyAQXBIYPYCXUQAX-YOXFSPIKSA-N
XLogP-1.18
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 160757175
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
[(2R)-2-[(1S)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] benzoate
CID 7044802
1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
CID 118667648
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
CID 144582240
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
1-[1-(1-hydroxy-5-sulfanylpentan-2-yl)oxyethyl]pyrimidine-2,4-dione
CID 142535865
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
CID 145045789
[2-(1,3-dihydroxypropan-2-yloxy)-2-(2,4-dioxopyrimidin-1-yl)ethyl] benzoate
CID 166684380

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione (CID 160757174) is 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione is CC[C@H](CO)OC(CO)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The InChIKey is AQXBIYPYCXUQAX-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-2-7(5-13)17-9(6-14)12-4-3-8(15)11-10(12)16/h3-4,7,9,13-14H,2,5-6H2,1H3,(H,11,15,16)/t7-,9?/m1/s1.
What are the key properties of 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione has a molecular weight of 244.25 g/mol, XLogP of -1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 160757174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).