5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione

C8H7ClN2O3 — CID 178018403

IUPAC5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2CC=CO2)cc1Cl
InChIInChI=1S/C8H7ClN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h1,3-4,6H,2H2,(H,10,12,13)/t6-/m0/s1
InChIKeyVCKFJTOQSYIMHQ-LURJTMIESA-N
MW214.61 g/mol
LogP0.62
Rot. Bonds1

About 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione

5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione (PubChem CID 178018403) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
PubChem CID178018403
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2CC=CO2)cc1Cl
InChIInChI=1S/C8H7ClN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h1,3-4,6H,2H2,(H,10,12,13)/t6-/m0/s1
InChIKeyVCKFJTOQSYIMHQ-LURJTMIESA-N
XLogP0.62
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,5S)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 178018301
5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 69173347
1-[(2R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
CID 121487278
5-chloro-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57172100
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
CID 14430116
5-chloro-1-[(2R,4S,5R)-5-[deuterio(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 121487302
5-chloro-1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14885922
CID 153342271
CID 153342271
1-[(4R)-2,2-bis(hydroxymethyl)-1,3-oxathiolan-4-yl]-5-chloropyrimidine-2,4-dione
CID 10424561
5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14308790
[3-acetyloxy-5-(5-chloro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 14680144
5-chloro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 10588705

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione (CID 178018403) is 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@@H]2CC=CO2)cc1Cl.
What is the InChIKey of 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The InChIKey is VCKFJTOQSYIMHQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H7ClN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h1,3-4,6H,2H2,(H,10,12,13)/t6-/m0/s1.
What are the key properties of 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione has a molecular weight of 214.61 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 178018403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).