tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate

C13H18N4O2S — CID 155183219

IUPACtert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate
SMILESCCSc1c(NC(=O)OC(C)(C)C)nc2ncccn12
InChIInChI=1S/C13H18N4O2S/c1-5-20-10-9(16-12(18)19-13(2,3)4)15-11-14-7-6-8-17(10)11/h6-8H,5H2,1-4H3,(H,16,18)
InChIKeyRBPATNKADFJQGT-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate

tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate (PubChem CID 155183219) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate
PubChem CID155183219
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Nametert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate
SMILESCCSc1c(NC(=O)OC(C)(C)C)nc2ncccn12
InChIInChI=1S/C13H18N4O2S/c1-5-20-10-9(16-12(18)19-13(2,3)4)15-11-14-7-6-8-17(10)11/h6-8H,5H2,1-4H3,(H,16,18)
InChIKeyRBPATNKADFJQGT-UHFFFAOYSA-N
XLogP3.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
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tert-butyl N-[2-[(6-imidazo[1,2-a]pyrimidin-3-ylsulfanyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
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tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
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tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
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tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
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tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
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tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate (CID 155183219) is tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate is CCSc1c(NC(=O)OC(C)(C)C)nc2ncccn12.
What is the InChIKey of tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate?
The InChIKey is RBPATNKADFJQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-5-20-10-9(16-12(18)19-13(2,3)4)15-11-14-7-6-8-17(10)11/h6-8H,5H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate?
tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate has a molecular weight of 294.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate is sourced from PubChem (CID 155183219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).