tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate

C17H25N5O3 — CID 95621544

IUPACtert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate
SMILESC[C@@H](CNC(=O)c1cn2cccnc2n1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N5O3/c1-12(10-21(5)16(24)25-17(2,3)4)9-19-14(23)13-11-22-8-6-7-18-15(22)20-13/h6-8,11-12H,9-10H2,1-5H3,(H,19,23)/t12-/m0/s1
InChIKeyMPXQGMGZBWAYJF-LBPRGKRZSA-N
MW347.42 g/mol
LogP1.96
Rot. Bonds5

About tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate (PubChem CID 95621544) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate
PubChem CID95621544
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Nametert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate
SMILESC[C@@H](CNC(=O)c1cn2cccnc2n1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N5O3/c1-12(10-21(5)16(24)25-17(2,3)4)9-19-14(23)13-11-22-8-6-7-18-15(22)20-13/h6-8,11-12H,9-10H2,1-5H3,(H,19,23)/t12-/m0/s1
InChIKeyMPXQGMGZBWAYJF-LBPRGKRZSA-N
XLogP1.96
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 72876295
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
CID 70717321
3-(2-Ethylbutyl)-8-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724447
1-[(2-Methylimidazo[1,2-a]pyrimidin-3-yl)carbonyl]-1,4-diazepane-6-carboxylic acid
CID 74240042
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 91923130
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 91922863
methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 134789604
N-[2-(ethylsulfonyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74239478
N-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75398211
[(2S)-2,4-dimethylpiperazin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 97094229
N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 123895627
tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[[fluoro(imidazo[1,2-a]pyrimidine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 129044029

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate (CID 95621544) is tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate is C[C@@H](CNC(=O)c1cn2cccnc2n1)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate?
The InChIKey is MPXQGMGZBWAYJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12(10-21(5)16(24)25-17(2,3)4)9-19-14(23)13-11-22-8-6-7-18-15(22)20-13/h6-8,11-12H,9-10H2,1-5H3,(H,19,23)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate has a molecular weight of 347.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-(imidazo[1,2-a]pyrimidine-2-carbonylamino)-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 95621544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).