tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate

C19H27FN4O3 — CID 175150044

IUPACtert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
SMILESCCCCc1cn2cc(OCC(=CF)CNC(=O)OC(C)(C)C)cnc2n1
InChIInChI=1S/C19H27FN4O3/c1-5-6-7-15-11-24-12-16(10-21-17(24)23-15)26-13-14(8-20)9-22-18(25)27-19(2,3)4/h8,10-12H,5-7,9,13H2,1-4H3,(H,22,25)
InChIKeyWSFQHMNMNFTBIE-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.83
Rot. Bonds8

About tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate

tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate (PubChem CID 175150044) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
PubChem CID175150044
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC Nametert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
SMILESCCCCc1cn2cc(OCC(=CF)CNC(=O)OC(C)(C)C)cnc2n1
InChIInChI=1S/C19H27FN4O3/c1-5-6-7-15-11-24-12-16(10-21-17(24)23-15)26-13-14(8-20)9-22-18(25)27-19(2,3)4/h8,10-12H,5-7,9,13H2,1-4H3,(H,22,25)
InChIKeyWSFQHMNMNFTBIE-UHFFFAOYSA-N
XLogP3.83
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate with MolForge

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Related Compounds

4-[(Z)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]benzoic acid
CID 146417752
4-[(E)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]benzoic acid
CID 153384791
tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 146492877
tert-butyl N-[(Z)-3-fluoro-2-[[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]oxymethyl]prop-2-enyl]carbamate
CID 175182013
tert-butyl N-[(E)-3-fluoro-2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]oxymethyl]prop-2-enyl]carbamate
CID 134254325
tert-butyl N-[(E)-3-fluoro-2-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-5-yl]oxymethyl]prop-2-enyl]carbamate
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tert-butyl N-[3-fluoro-2-[(4-phenylphenoxy)methyl]prop-2-enyl]carbamate
CID 160720200
tert-butyl N-[2-[(4-cyanophenoxy)methyl]-3-fluoroprop-2-enyl]carbamate
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1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine
CID 176652847
tert-butyl N-[2-[[4-(dimethylsulfamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]carbamate
CID 123407065
tert-butyl N-[3-fluoro-2-[[2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-5-yl]oxymethyl]prop-2-enyl]carbamate
CID 162003231
tert-butyl N-[(E)-2-[(2-bromo-1,3-benzothiazol-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate (CID 175150044) is tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate is CCCCc1cn2cc(OCC(=CF)CNC(=O)OC(C)(C)C)cnc2n1.
What is the InChIKey of tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate?
The InChIKey is WSFQHMNMNFTBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-5-6-7-15-11-24-12-16(10-21-17(24)23-15)26-13-14(8-20)9-22-18(25)27-19(2,3)4/h8,10-12H,5-7,9,13H2,1-4H3,(H,22,25).
What are the key properties of tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate?
tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate has a molecular weight of 378.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate is sourced from PubChem (CID 175150044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).