5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C15H22N2O5 — CID 15957675

IUPAC5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCCC/C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N2O5/c1-2-3-4-5-6-10-8-17(15(21)16-14(10)20)13-7-11(19)12(9-18)22-13/h5-6,8,11-13,18-19H,2-4,7,9H2,1H3,(H,16,20,21)/b6-5-/t11-,12+,13+/m0/s1
InChIKeyBYVOBWMFHFGNQF-MKVKLZLISA-N
MW310.35 g/mol
LogP0.38
Rot. Bonds6

About 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 15957675) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID15957675
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCCC/C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N2O5/c1-2-3-4-5-6-10-8-17(15(21)16-14(10)20)13-7-11(19)12(9-18)22-13/h5-6,8,11-13,18-19H,2-4,7,9H2,1H3,(H,16,20,21)/b6-5-/t11-,12+,13+/m0/s1
InChIKeyBYVOBWMFHFGNQF-MKVKLZLISA-N
XLogP0.38
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Thymidine
CID 5789
Telbivudine
CID 159269
Brivudine
CID 446727
Sorivudine
CID 5282192
1-(2-Deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
CID 1134
5-Methyluridine
CID 445408
Clevudine
CID 73115
Edoxudin
CID 66377
1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 65049
2',3'-Dideoxythymidine
CID 65119
Methylthymidine
CID 65062
5-Isopropyl-2'-deoxyuridine
CID 512735

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 15957675) is 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is CCCC/C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is BYVOBWMFHFGNQF-MKVKLZLISA-N. The full InChI is InChI=1S/C15H22N2O5/c1-2-3-4-5-6-10-8-17(15(21)16-14(10)20)13-7-11(19)12(9-18)22-13/h5-6,8,11-13,18-19H,2-4,7,9H2,1H3,(H,16,20,21)/b6-5-/t11-,12+,13+/m0/s1.
What are the key properties of 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 310.35 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 15957675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).