1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione

C11H14N2O4 — CID 144582240

IUPAC1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
SMILESC#CCC(CO)OC(C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-3-4-9(7-14)17-8(2)13-6-5-10(15)12-11(13)16/h1,5-6,8-9,14H,4,7H2,2H3,(H,12,15,16)
InChIKeyYLQDCNXGRFLRFH-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.54
Rot. Bonds5

About 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione

1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione (PubChem CID 144582240) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
PubChem CID144582240
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
SMILESC#CCC(CO)OC(C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-3-4-9(7-14)17-8(2)13-6-5-10(15)12-11(13)16/h1,5-6,8-9,14H,4,7H2,2H3,(H,12,15,16)
InChIKeyYLQDCNXGRFLRFH-UHFFFAOYSA-N
XLogP-0.54
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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-(1-hydroxy-5-sulfanylpentan-2-yl)oxyethyl]pyrimidine-2,4-dione
CID 142535865
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
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-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 143809467
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
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-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
[(2R)-2-[(1S)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] benzoate
CID 7044802

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione (CID 144582240) is 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione is C#CCC(CO)OC(C)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is YLQDCNXGRFLRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-4-9(7-14)17-8(2)13-6-5-10(15)12-11(13)16/h1,5-6,8-9,14H,4,7H2,2H3,(H,12,15,16).
What are the key properties of 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione?
1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 238.24 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 144582240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).