tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate

C11H18N4O3 — CID 83672010

IUPACtert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)18-10(17)14-6-8-13-5-7(4-12)9(16)15-8/h5H,4,6,12H2,1-3H3,(H,14,17)(H,13,15,16)
InChIKeyDFGKGFNGMCADNH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.25
Rot. Bonds3

About tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate

tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate (PubChem CID 83672010) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate
PubChem CID83672010
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Nametert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)18-10(17)14-6-8-13-5-7(4-12)9(16)15-8/h5H,4,6,12H2,1-3H3,(H,14,17)(H,13,15,16)
InChIKeyDFGKGFNGMCADNH-UHFFFAOYSA-N
XLogP0.25
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate (CID 83672010) is tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ncc(CN)c(=O)[nH]1.
What is the InChIKey of tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate?
The InChIKey is DFGKGFNGMCADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,3)18-10(17)14-6-8-13-5-7(4-12)9(16)15-8/h5H,4,6,12H2,1-3H3,(H,14,17)(H,13,15,16).
What are the key properties of tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate?
tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate has a molecular weight of 254.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate is sourced from PubChem (CID 83672010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).