1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione

C10H16N2O4 — CID 174092745

IUPAC1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESCOC[C@H](C)O[C@H](C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-7(6-15-3)16-8(2)12-5-4-9(13)11-10(12)14/h4-5,7-8H,6H2,1-3H3,(H,11,13,14)/t7-,8+/m0/s1
InChIKeyBUPWTRPWRDNEBT-JGVFFNPUSA-N
MW228.25 g/mol
LogP0.11
Rot. Bonds5

About 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione

1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione (PubChem CID 174092745) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
PubChem CID174092745
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESCOC[C@H](C)O[C@H](C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-7(6-15-3)16-8(2)12-5-4-9(13)11-10(12)14/h4-5,7-8H,6H2,1-3H3,(H,11,13,14)/t7-,8+/m0/s1
InChIKeyBUPWTRPWRDNEBT-JGVFFNPUSA-N
XLogP0.11
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-[1-(2-hydroxyethoxy)-2-methoxyethyl]pyrimidine-2,4-dione
CID 167508864
(2S)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]butanal
CID 159995900
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
ethane;1-[1-(6-sulfanylhexan-3-yloxy)ethyl]pyrimidine-2,4-dione
CID 156889949
1-[1-(1-hydroxy-5-sulfanylpentan-2-yl)oxyethyl]pyrimidine-2,4-dione
CID 142535865
1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
CID 144582240
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
CID 6991759
1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 134595189
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione (CID 174092745) is 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione is COC[C@H](C)O[C@H](C)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The InChIKey is BUPWTRPWRDNEBT-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(6-15-3)16-8(2)12-5-4-9(13)11-10(12)14/h4-5,7-8H,6H2,1-3H3,(H,11,13,14)/t7-,8+/m0/s1.
What are the key properties of 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione?
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione has a molecular weight of 228.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 174092745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).