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

C14H20N2O5 — CID 6479146

IUPAC1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione
SMILESCCC/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O5/c1-2-3-4-5-9-7-16(14(20)15-13(9)19)12-6-10(18)11(8-17)21-12/h4-5,7,10-12,17-18H,2-3,6,8H2,1H3,(H,15,19,20)/b5-4+/t10-,11+,12+/m0/s1
InChIKeyRBUAHPWQGGMULS-MRPUBWEVSA-N
MW296.32 g/mol
LogP-0.01
Rot. Bonds5

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

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione (PubChem CID 6479146) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione
PubChem CID6479146
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione
SMILESCCC/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O5/c1-2-3-4-5-9-7-16(14(20)15-13(9)19)12-6-10(18)11(8-17)21-12/h4-5,7,10-12,17-18H,2-3,6,8H2,1H3,(H,15,19,20)/b5-4+/t10-,11+,12+/m0/s1
InChIKeyRBUAHPWQGGMULS-MRPUBWEVSA-N
XLogP-0.01
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione (CID 6479146) is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione is CCC/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione?
The InChIKey is RBUAHPWQGGMULS-MRPUBWEVSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-3-4-5-9-7-16(14(20)15-13(9)19)12-6-10(18)11(8-17)21-12/h4-5,7,10-12,17-18H,2-3,6,8H2,1H3,(H,15,19,20)/b5-4+/t10-,11+,12+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione has a molecular weight of 296.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 6479146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).