5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione

C11H15ClN2O4 — CID 97031240

IUPAC5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCOC[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C11H15ClN2O4/c12-9-6-14(11(16)13-10(9)15)3-5-17-7-8-2-1-4-18-8/h6,8H,1-5,7H2,(H,13,15,16)/t8-/m1/s1
InChIKeyWQVKJEDSNYKMPA-MRVPVSSYSA-N
MW274.70 g/mol
LogP0.39
Rot. Bonds5

About 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione

5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione (PubChem CID 97031240) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione
PubChem CID97031240
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCOC[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C11H15ClN2O4/c12-9-6-14(11(16)13-10(9)15)3-5-17-7-8-2-1-4-18-8/h6,8H,1-5,7H2,(H,13,15,16)/t8-/m1/s1
InChIKeyWQVKJEDSNYKMPA-MRVPVSSYSA-N
XLogP0.39
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-[2-(oxiran-2-yl)ethyl]pyrimidine-2,4-dione
CID 130575499
2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687
5-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-dione
CID 66425170
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione
CID 66424593
5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66423367
N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
6-amino-2-butoxy-9-[2-(oxolan-2-ylmethoxy)ethyl]-7H-purin-8-one
CID 68610854
10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane
CID 14910693
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]-3-(oxolan-2-yl)propanamide
CID 89193218

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione (CID 97031240) is 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCOC[C@H]2CCCO2)cc1Cl.
What is the InChIKey of 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is WQVKJEDSNYKMPA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c12-9-6-14(11(16)13-10(9)15)3-5-17-7-8-2-1-4-18-8/h6,8H,1-5,7H2,(H,13,15,16)/t8-/m1/s1.
What are the key properties of 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 274.70 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 97031240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).