1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione

C10H16N2O4 — CID 71083212

IUPAC1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
SMILESCC[C@@H](O[C@@H](C)CO)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-3-9(16-7(2)6-13)12-5-4-8(14)11-10(12)15/h4-5,7,9,13H,3,6H2,1-2H3,(H,11,14,15)/t7-,9+/m0/s1
InChIKeyNPEVVTNXCQGADR-IONNQARKSA-N
MW228.25 g/mol
LogP-0.16
Rot. Bonds5

About 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione

1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione (PubChem CID 71083212) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
PubChem CID71083212
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
SMILESCC[C@@H](O[C@@H](C)CO)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-3-9(16-7(2)6-13)12-5-4-8(14)11-10(12)15/h4-5,7,9,13H,3,6H2,1-2H3,(H,11,14,15)/t7-,9+/m0/s1
InChIKeyNPEVVTNXCQGADR-IONNQARKSA-N
XLogP-0.16
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
CID 118667648
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 160757175
1-[1-(2-hydroxyethoxy)-2-methoxyethyl]pyrimidine-2,4-dione
CID 167508864
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
(2S)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]butanal
CID 159995900

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione (CID 71083212) is 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione is CC[C@@H](O[C@@H](C)CO)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione?
The InChIKey is NPEVVTNXCQGADR-IONNQARKSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-9(16-7(2)6-13)12-5-4-8(14)11-10(12)15/h4-5,7,9,13H,3,6H2,1-2H3,(H,11,14,15)/t7-,9+/m0/s1.
What are the key properties of 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione?
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione has a molecular weight of 228.25 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71083212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).