ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate

C14H19N3O2 — CID 177160618

IUPACethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCCOC(=O)N1CC2(CC(c3cnc(C)nc3)C2)C1
InChIInChI=1S/C14H19N3O2/c1-3-19-13(18)17-8-14(9-17)4-11(5-14)12-6-15-10(2)16-7-12/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyCDMYKLPBILXRQT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.12
Rot. Bonds2

About ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate

ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 177160618) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID177160618
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCCOC(=O)N1CC2(CC(c3cnc(C)nc3)C2)C1
InChIInChI=1S/C14H19N3O2/c1-3-19-13(18)17-8-14(9-17)4-11(5-14)12-6-15-10(2)16-7-12/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyCDMYKLPBILXRQT-UHFFFAOYSA-N
XLogP2.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(trifluoromethyl)pyrimidin-5-yl]-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 174206895
ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate
CID 10902282
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 2-[4-(1,5-dimethylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295196
butyl 6-phenyl-2-azaspiro[3.4]octane-2-carboxylate
CID 175842476
ethyl 2-[4-(1,3-thiazol-4-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295215
ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118294937
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
CID 118294701
ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 126526028
ethyl 6-[4-[3-(3-methyl-1,2-thiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 139512576
(5-carbamoyl-2-adamantyl) 3-(2-methylpyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 58171585
[2-[4-[(6R)-2-ethoxycarbonyl-2-azaspiro[3.4]octan-6-yl]piperazin-1-yl]-3-pyridinyl]boronic acid
CID 171850088

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate (CID 177160618) is ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate is CCOC(=O)N1CC2(CC(c3cnc(C)nc3)C2)C1.
What is the InChIKey of ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is CDMYKLPBILXRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-19-13(18)17-8-14(9-17)4-11(5-14)12-6-15-10(2)16-7-12/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate?
ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methylpyrimidin-5-yl)-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 177160618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).