tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate

C14H21N3O2 — CID 18689783

IUPACtert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate
SMILESCN(CC/C=C/c1cncnc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17(4)8-6-5-7-12-9-15-11-16-10-12/h5,7,9-11H,6,8H2,1-4H3/b7-5+
InChIKeyZYWIUJZVQNYABJ-FNORWQNLSA-N
MW263.34 g/mol
LogP2.75
Rot. Bonds4

About tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate

tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate (PubChem CID 18689783) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate
PubChem CID18689783
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate
SMILESCN(CC/C=C/c1cncnc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17(4)8-6-5-7-12-9-15-11-16-10-12/h5,7,9-11H,6,8H2,1-4H3/b7-5+
InChIKeyZYWIUJZVQNYABJ-FNORWQNLSA-N
XLogP2.75
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate (CID 18689783) is tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate is CN(CC/C=C/c1cncnc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate?
The InChIKey is ZYWIUJZVQNYABJ-FNORWQNLSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17(4)8-6-5-7-12-9-15-11-16-10-12/h5,7,9-11H,6,8H2,1-4H3/b7-5+.
What are the key properties of tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate?
tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(E)-4-pyrimidin-5-ylbut-3-enyl]carbamate is sourced from PubChem (CID 18689783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).