benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate

C19H22N4O2 — CID 169472385

IUPACbenzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cnc(N2CCCC2)nc1)OCc1ccccc1
InChIInChI=1S/C19H22N4O2/c24-19(25-15-16-7-2-1-3-8-16)20-10-6-9-17-13-21-18(22-14-17)23-11-4-5-12-23/h1-3,6-9,13-14H,4-5,10-12,15H2,(H,20,24)
InChIKeyXFELYAUWNAWLDQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.02
Rot. Bonds6

About benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate

benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate (PubChem CID 169472385) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
PubChem CID169472385
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namebenzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cnc(N2CCCC2)nc1)OCc1ccccc1
InChIInChI=1S/C19H22N4O2/c24-19(25-15-16-7-2-1-3-8-16)20-10-6-9-17-13-21-18(22-14-17)23-11-4-5-12-23/h1-3,6-9,13-14H,4-5,10-12,15H2,(H,20,24)
InChIKeyXFELYAUWNAWLDQ-UHFFFAOYSA-N
XLogP3.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
CID 169470328
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate
CID 169472848
benzyl N-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enyl]carbamate
CID 169472409
2-[5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-2-pyridinyl]acetic acid
CID 169472043
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169472204
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
(2S)-2-[4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
CID 169471962
6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]naphthalene-2-carboxylic acid
CID 169472555
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate (CID 169472385) is benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1cnc(N2CCCC2)nc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate?
The InChIKey is XFELYAUWNAWLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(25-15-16-7-2-1-3-8-16)20-10-6-9-17-13-21-18(22-14-17)23-11-4-5-12-23/h1-3,6-9,13-14H,4-5,10-12,15H2,(H,20,24).
What are the key properties of benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate?
benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).