ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate

C11H15N3O4 — CID 178043797

IUPACethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(Oc2ccnc(N)n2)CO1
InChIInChI=1S/C11H15N3O4/c1-2-16-10(15)8-5-7(6-17-8)18-9-3-4-13-11(12)14-9/h3-4,7-8H,2,5-6H2,1H3,(H2,12,13,14)/t7?,8-/m1/s1
InChIKeyYDVPQIDPMVLBHJ-BRFYHDHCSA-N
MW253.26 g/mol
LogP0.16
Rot. Bonds4

About ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate

ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate (PubChem CID 178043797) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate
PubChem CID178043797
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(Oc2ccnc(N)n2)CO1
InChIInChI=1S/C11H15N3O4/c1-2-16-10(15)8-5-7(6-17-8)18-9-3-4-13-11(12)14-9/h3-4,7-8H,2,5-6H2,1H3,(H2,12,13,14)/t7?,8-/m1/s1
InChIKeyYDVPQIDPMVLBHJ-BRFYHDHCSA-N
XLogP0.16
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopropyloxypyrimidin-2-amine
CID 163297972
4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
CID 80878316
4-cyclopentyloxypyrimidin-2-amine
CID 80861271
4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine
CID 97052965
ethyl (2S,4R)-4-phenylselanyloxolane-2-carboxylate
CID 101459002
ethyl (2S,4S)-4-phenylsulfanyloxolane-2-carboxylate
CID 101458998
ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate
CID 172613346
ethyl 4-(2-methoxypyrimidin-4-yl)oxy-2-methyloxolane-2-carboxylate
CID 178043796
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
CID 171735423
4-propoxypyrimidin-2-amine
CID 79002172
ethyl (1S)-2-isoquinolin-1-ylcyclopropane-1-carboxylate
CID 90221399

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate?
The IUPAC name of ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate (CID 178043797) is ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate is CCOC(=O)[C@H]1CC(Oc2ccnc(N)n2)CO1.
What is the InChIKey of ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate?
The InChIKey is YDVPQIDPMVLBHJ-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-16-10(15)8-5-7(6-17-8)18-9-3-4-13-11(12)14-9/h3-4,7-8H,2,5-6H2,1H3,(H2,12,13,14)/t7?,8-/m1/s1.
What are the key properties of ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate?
ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-(2-aminopyrimidin-4-yl)oxyoxolane-2-carboxylate is sourced from PubChem (CID 178043797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).