N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide

C11H18N4O2 — CID 82723385

IUPACN-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)NOC(C)(C)C)c1ncccn1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-14-9(16)8-15(4)10-12-6-5-7-13-10/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyQPNNCXXBQZVBAP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.76
Rot. Bonds4

About N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide

N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide (PubChem CID 82723385) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide
PubChem CID82723385
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)NOC(C)(C)C)c1ncccn1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-14-9(16)8-15(4)10-12-6-5-7-13-10/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyQPNNCXXBQZVBAP-UHFFFAOYSA-N
XLogP0.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide (CID 82723385) is N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide is CN(CC(=O)NOC(C)(C)C)c1ncccn1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The InChIKey is QPNNCXXBQZVBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)17-14-9(16)8-15(4)10-12-6-5-7-13-10/h5-7H,8H2,1-4H3,(H,14,16).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide?
N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 82723385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).