tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate

C8H14N4O2 — CID 70162859

IUPACtert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(N)[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)12-6-10-4-5(9)11-6/h4H,9H2,1-3H3,(H2,10,11,12,13)
InChIKeyFMKUXHBCFWGCGS-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.34
Rot. Bonds1

About tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate

tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate (PubChem CID 70162859) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
PubChem CID70162859
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nametert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(N)[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)12-6-10-4-5(9)11-6/h4H,9H2,1-3H3,(H2,10,11,12,13)
InChIKeyFMKUXHBCFWGCGS-UHFFFAOYSA-N
XLogP1.34
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate
CID 91620202
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)carbamate
CID 69105949
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-(5-bromo-2-oxo-1H-pyrimidin-6-yl)carbamate
CID 69088343
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate (CID 70162859) is tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1ncc(N)[nH]1.
What is the InChIKey of tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate?
The InChIKey is FMKUXHBCFWGCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)12-6-10-4-5(9)11-6/h4H,9H2,1-3H3,(H2,10,11,12,13).
What are the key properties of tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate?
tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate has a molecular weight of 198.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate is sourced from PubChem (CID 70162859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).