benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate

C15H15N3O2 — CID 169470986

IUPACbenzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1cncnc1)OCc1ccccc1
InChIInChI=1S/C15H15N3O2/c19-15(20-11-13-5-2-1-3-6-13)18-8-4-7-14-9-16-12-17-10-14/h1-7,9-10,12H,8,11H2,(H,18,19)
InChIKeyROEHXOFWTCMGFV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.42
Rot. Bonds5

About benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate

benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate (PubChem CID 169470986) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
PubChem CID169470986
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namebenzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1cncnc1)OCc1ccccc1
InChIInChI=1S/C15H15N3O2/c19-15(20-11-13-5-2-1-3-6-13)18-8-4-7-14-9-16-12-17-10-14/h1-7,9-10,12H,8,11H2,(H,18,19)
InChIKeyROEHXOFWTCMGFV-UHFFFAOYSA-N
XLogP2.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
CID 169472385
2-[5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-2-pyridinyl]acetic acid
CID 169472043
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enyl]carbamate
CID 169472847
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-(3-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169471067
2,6-difluoro-4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472166

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate?
The IUPAC name of benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate (CID 169470986) is benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate.
What is the SMILES notation for benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate?
The canonical SMILES for benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate is O=C(NCC=Cc1cncnc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate?
The InChIKey is ROEHXOFWTCMGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20-11-13-5-2-1-3-6-13)18-8-4-7-14-9-16-12-17-10-14/h1-7,9-10,12H,8,11H2,(H,18,19).
What are the key properties of benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate?
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate is sourced from PubChem (CID 169470986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).