tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate

C16H22N4O2 — CID 165134039

IUPACtert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1cn2cc(C3CC3)cnc2n1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19(4)9-13-10-20-8-12(11-5-6-11)7-17-14(20)18-13/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyZZSFRFCDFXKMLY-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate

tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate (PubChem CID 165134039) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate
PubChem CID165134039
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1cn2cc(C3CC3)cnc2n1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19(4)9-13-10-20-8-12(11-5-6-11)7-17-14(20)18-13/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyZZSFRFCDFXKMLY-UHFFFAOYSA-N
XLogP2.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
CID 155565018
6-(2,2-Difluorocyclopropyl)-2-propan-2-ylimidazo[1,2-a]pyrimidine
CID 168099637
Tert-butyl 6-[[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 170784782
Tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
CID 176509577
Tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate
CID 23084107
(6-Cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methanamine
CID 55267267
tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 59376694
1,1-dimethylethyl (2S)-2-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1-piperidinecarboxylate
CID 59376697
Tert-butyl 2-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 72281277
tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate;ethane
CID 91544903
2-(Azidomethyl)-6-cyclopropylimidazo[1,2-a]pyrimidine
CID 139488027
4-Amino-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrimidin-2-one
CID 139498977

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate (CID 165134039) is tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate is CN(Cc1cn2cc(C3CC3)cnc2n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate?
The InChIKey is ZZSFRFCDFXKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19(4)9-13-10-20-8-12(11-5-6-11)7-17-14(20)18-13/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate has a molecular weight of 302.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 165134039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).