tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate

C14H22N4O2 — CID 178023889

IUPACtert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate
SMILESC[C@@H](C/C=C/c1cnc(N)nc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N4O2/c1-10(18-13(19)20-14(2,3)4)6-5-7-11-8-16-12(15)17-9-11/h5,7-10H,6H2,1-4H3,(H,18,19)(H2,15,16,17)/b7-5+/t10-/m0/s1
InChIKeyAIIHGMMSKOOVJH-STUBTGCMSA-N
MW278.36 g/mol
LogP2.38
Rot. Bonds4

About tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate

tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate (PubChem CID 178023889) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate
PubChem CID178023889
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate
SMILESC[C@@H](C/C=C/c1cnc(N)nc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N4O2/c1-10(18-13(19)20-14(2,3)4)6-5-7-11-8-16-12(15)17-9-11/h5,7-10H,6H2,1-4H3,(H,18,19)(H2,15,16,17)/b7-5+/t10-/m0/s1
InChIKeyAIIHGMMSKOOVJH-STUBTGCMSA-N
XLogP2.38
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
CID 178023798
tert-butyl N-[(E,2S)-5-[6-amino-5-(dimethylcarbamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
CID 178023539
tert-butyl N-[(E,2S)-5-(6-amino-4-chloro-5-methoxy-3-pyridinyl)pent-4-en-2-yl]carbamate
CID 178024399
tert-butyl N-[(2S)-5-(2-amino-4-chloropyrimidin-5-yl)pent-4-yn-2-yl]carbamate
CID 178023696
tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate
CID 178023884
(E,2R)-2-[(2S)-2-[[(E,2R)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-phenylpent-4-enoyl]amino]propyl]-5-phenylpent-4-enoic acid
CID 100974902
tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate
CID 148820696
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620
(E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate
CID 7009100
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
[(E)-3-(4-bromophenyl)prop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134900413
[(E)-3-phenylprop-2-enyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 147592214

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate (CID 178023889) is tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate is C[C@@H](C/C=C/c1cnc(N)nc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate?
The InChIKey is AIIHGMMSKOOVJH-STUBTGCMSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(18-13(19)20-14(2,3)4)6-5-7-11-8-16-12(15)17-9-11/h5,7-10H,6H2,1-4H3,(H,18,19)(H2,15,16,17)/b7-5+/t10-/m0/s1.
What are the key properties of tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate?
tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate has a molecular weight of 278.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate is sourced from PubChem (CID 178023889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).