tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate

C14H21N3O2 — CID 152975023

IUPACtert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCc2ncccn2)C1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-11(10-17)5-6-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKeyUTFWZLODZZWJNY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate

tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate (PubChem CID 152975023) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
PubChem CID152975023
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCc2ncccn2)C1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-11(10-17)5-6-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKeyUTFWZLODZZWJNY-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,5R)-3,5-dimethyl-4-(pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 100617259
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877
tert-butyl 3-(2-chloro-2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
CID 153181556
tert-butyl 3-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]azetidine-1-carboxylate
CID 67272262
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
tert-butyl (3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 124585586
tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172143
tert-butyl 3-(pyrazol-1-ylmethyl)azetidine-1-carboxylate
CID 67979283
tert-butyl 3-[(2-methylimidazol-1-yl)methyl]azetidine-1-carboxylate
CID 154882833
tert-butyl 3-(1H-imidazol-2-ylmethyl)azetidine-1-carboxylate
CID 175251955
tert-butyl (3R)-3-(pyrimidin-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 97031953
tert-butyl 3-[2-(4-chloro-3-methylphenyl)ethyl]azetidine-1-carboxylate
CID 159708612

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate (CID 152975023) is tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CCc2ncccn2)C1.
What is the InChIKey of tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate?
The InChIKey is UTFWZLODZZWJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-11(10-17)5-6-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3.
What are the key properties of tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate?
tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate is sourced from PubChem (CID 152975023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).