tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate

C19H23N3O2S — CID 177175531

IUPACtert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate
SMILESCSc1ccnc(C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)n1
InChIInChI=1S/C19H23N3O2S/c1-18(2,3)24-17(23)22-19(16-20-10-9-15(21-16)25-4)11-13-7-5-6-8-14(13)12-19/h5-10H,11-12H2,1-4H3,(H,22,23)
InChIKeyZTIVFWNPEZGLBT-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate

tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate (PubChem CID 177175531) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate
PubChem CID177175531
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Nametert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate
SMILESCSc1ccnc(C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)n1
InChIInChI=1S/C19H23N3O2S/c1-18(2,3)24-17(23)22-19(16-20-10-9-15(21-16)25-4)11-13-7-5-6-8-14(13)12-19/h5-10H,11-12H2,1-4H3,(H,22,23)
InChIKeyZTIVFWNPEZGLBT-UHFFFAOYSA-N
XLogP3.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate
CID 166160967
tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate
CID 18331441
tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
CID 164650703
2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide
CID 166160366
tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
CID 141105169
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
tert-butyl N-[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamate
CID 66606109
chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 165438952
tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate
CID 166161006
dimethyl 7,15-bis[(2-methylpropan-2-yl)oxycarbonylamino]tetracyclo[7.7.2.05,17.013,18]octadeca-1(17),2,4,9,11,13(18)-hexaene-7,15-dicarboxylate
CID 100949582
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate (CID 177175531) is tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate is CSc1ccnc(C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)n1.
What is the InChIKey of tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate?
The InChIKey is ZTIVFWNPEZGLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-18(2,3)24-17(23)22-19(16-20-10-9-15(21-16)25-4)11-13-7-5-6-8-14(13)12-19/h5-10H,11-12H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate?
tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate has a molecular weight of 357.48 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate is sourced from PubChem (CID 177175531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).