5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione

C15H20N2O4 — CID 70953114

IUPAC5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@H]1CC[C@H](n2cc(C#CCCCCO)c(=O)[nH]c2=O)O1
InChIInChI=1S/C15H20N2O4/c1-11-7-8-13(21-11)17-10-12(14(19)16-15(17)20)6-4-2-3-5-9-18/h10-11,13,18H,2-3,5,7-9H2,1H3,(H,16,19,20)/t11-,13-/m1/s1
InChIKeyMXTOZNRQIANSAP-DGCLKSJQSA-N
MW292.34 g/mol
LogP0.75
Rot. Bonds4

About 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione

5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 70953114) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID70953114
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@H]1CC[C@H](n2cc(C#CCCCCO)c(=O)[nH]c2=O)O1
InChIInChI=1S/C15H20N2O4/c1-11-7-8-13(21-11)17-10-12(14(19)16-15(17)20)6-4-2-3-5-9-18/h10-11,13,18H,2-3,5,7-9H2,1H3,(H,16,19,20)/t11-,13-/m1/s1
InChIKeyMXTOZNRQIANSAP-DGCLKSJQSA-N
XLogP0.75
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(6-hydroxyhex-1-ynyl)-1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953350
1-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-octa-1,7-diynylpyrimidine-2,4-dione
CID 121356688
5-hepta-1,6-diynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 102403818
5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
CID 68663052
N-[3-[1-[5-(hydroperoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]formamide
CID 143047754
5-dec-1-ynyl-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 16748013
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-tetradec-1-ynylpyrimidine-2,4-dione
CID 16749479
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hex-1-ynylpyrimidine-2,4-dione
CID 68840069
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pent-1-ynylpyrimidine-2,4-dione;phosphoric acid
CID 173312179
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-octa-1,7-diynylpyrimidine-2,4-dione
CID 175676884
5-[6-[3-[3-(2-aminoethoxy)propyl]-1,2-dihydrotriazol-5-yl]hex-1-ynyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118402740
5-dodec-1-ynyl-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 16747878

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 70953114) is 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione is C[C@@H]1CC[C@H](n2cc(C#CCCCCO)c(=O)[nH]c2=O)O1.
What is the InChIKey of 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is MXTOZNRQIANSAP-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-7-8-13(21-11)17-10-12(14(19)16-15(17)20)6-4-2-3-5-9-18/h10-11,13,18H,2-3,5,7-9H2,1H3,(H,16,19,20)/t11-,13-/m1/s1.
What are the key properties of 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70953114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).