ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate

C13H18N2O5 — CID 178043796

IUPACethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate
SMILESCCOC(=O)C1(C)CC(Oc2ccnc(OC)n2)CO1
InChIInChI=1S/C13H18N2O5/c1-4-18-11(16)13(2)7-9(8-19-13)20-10-5-6-14-12(15-10)17-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyHZSPRSWCDCXMQQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.97
Rot. Bonds5

About ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate

ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate (PubChem CID 178043796) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate
PubChem CID178043796
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate
SMILESCCOC(=O)C1(C)CC(Oc2ccnc(OC)n2)CO1
InChIInChI=1S/C13H18N2O5/c1-4-18-11(16)13(2)7-9(8-19-13)20-10-5-6-14-12(15-10)17-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyHZSPRSWCDCXMQQ-UHFFFAOYSA-N
XLogP0.97
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161177
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121161503
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
(2,5-dimethylfuran-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161386
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261332
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 122261520

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate?
The IUPAC name of ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate (CID 178043796) is ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate is CCOC(=O)C1(C)CC(Oc2ccnc(OC)n2)CO1.
What is the InChIKey of ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate?
The InChIKey is HZSPRSWCDCXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-18-11(16)13(2)7-9(8-19-13)20-10-5-6-14-12(15-10)17-3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate?
ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate is sourced from PubChem (CID 178043796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).