5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

C14H16N2O7 — CID 137346607

IUPAC5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O7/c1-21-11-10(18)9(6-17)23-13(11)16-5-7(8-3-2-4-22-8)12(19)15-14(16)20/h2-5,9-11,13,17-18H,6H2,1H3,(H,15,19,20)/t9-,10-,11-,13-/m1/s1
InChIKeyLSIDJDXMOBYKJX-PRULPYPASA-N
MW324.29 g/mol
LogP-0.94
Rot. Bonds4

About 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 137346607) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID137346607
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O7/c1-21-11-10(18)9(6-17)23-13(11)16-5-7(8-3-2-4-22-8)12(19)15-14(16)20/h2-5,9-11,13,17-18H,6H2,1H3,(H,15,19,20)/t9-,10-,11-,13-/m1/s1
InChIKeyLSIDJDXMOBYKJX-PRULPYPASA-N
XLogP-0.94
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-yl)pyrimidine-2,4-dione
CID 90220460
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
2-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 14776496
methyl 2-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 118370248
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
methyl 3-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropanoate
CID 172745372
[(2R,3S,4R,5R)-5-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 123550972
[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methylurea
CID 150002970
5-(2-bromophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 167432424
N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide
CID 175500160
5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 10378633
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2R)-2-methoxycyclopentyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 70853068

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 137346607) is 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione is CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is LSIDJDXMOBYKJX-PRULPYPASA-N. The full InChI is InChI=1S/C14H16N2O7/c1-21-11-10(18)9(6-17)23-13(11)16-5-7(8-3-2-4-22-8)12(19)15-14(16)20/h2-5,9-11,13,17-18H,6H2,1H3,(H,15,19,20)/t9-,10-,11-,13-/m1/s1.
What are the key properties of 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 324.29 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 137346607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).