tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate

C15H21N3O2 — CID 67382844

IUPACtert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C=Cc1cncnc1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-8-4-5-13(18)7-6-12-9-16-11-17-10-12/h6-7,9-11,13H,4-5,8H2,1-3H3/t13-/m1/s1
InChIKeyAYDOLAZSBPDPDQ-CYBMUJFWSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate (PubChem CID 67382844) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate
PubChem CID67382844
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C=Cc1cncnc1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-8-4-5-13(18)7-6-12-9-16-11-17-10-12/h6-7,9-11,13H,4-5,8H2,1-3H3/t13-/m1/s1
InChIKeyAYDOLAZSBPDPDQ-CYBMUJFWSA-N
XLogP2.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-fluoropyrimidin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166458340
tert-butyl (2S)-4-[5-(difluoromethyl)pyrimidin-2-yl]-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175958208
tert-butyl 4-[2-(difluoromethyl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 178837801
tert-Butyl 2-(pyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 154714523
tert-butyl N-[3-(2-fluoropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169466922
tert-butyl N-[4-(2-fluoropyrimidin-5-yl)but-3-enyl]carbamate
CID 170489876
Tert-butyl 3-[2-(trifluoromethyl)pyrimidin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171970412
tert-butyl N-methyl-N-[(E,2S)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate
CID 10084894
tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate
CID 10356160
tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate
CID 18384957
(E)-N-Methyl-N-tert-Butyloxycarbonyl-4-(5-pyrimidinyl)-3-butene-1-amine
CID 18689783
(E)-N-tert-Butyloxycarbonyl-4-(5-pyrimidinyl)-3-butene-1-amine
CID 18689784

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate (CID 67382844) is tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1C=Cc1cncnc1.
What is the InChIKey of tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate?
The InChIKey is AYDOLAZSBPDPDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-8-4-5-13(18)7-6-12-9-16-11-17-10-12/h6-7,9-11,13H,4-5,8H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 67382844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).