N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide

C11H14N6O — CID 64529642

IUPACN-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)NCc1ncc[nH]1)c1ncccn1
InChIInChI=1S/C11H14N6O/c1-17(11-14-3-2-4-15-11)8-10(18)16-7-9-12-5-6-13-9/h2-6H,7-8H2,1H3,(H,12,13)(H,16,18)
InChIKeyMOSAZNOVXYPYOP-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.05
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide

N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide (PubChem CID 64529642) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
PubChem CID64529642
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)NCc1ncc[nH]1)c1ncccn1
InChIInChI=1S/C11H14N6O/c1-17(11-14-3-2-4-15-11)8-10(18)16-7-9-12-5-6-13-9/h2-6H,7-8H2,1H3,(H,12,13)(H,16,18)
InChIKeyMOSAZNOVXYPYOP-UHFFFAOYSA-N
XLogP-0.05
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide (CID 64529642) is N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide is CN(CC(=O)NCc1ncc[nH]1)c1ncccn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The InChIKey is MOSAZNOVXYPYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-17(11-14-3-2-4-15-11)8-10(18)16-7-9-12-5-6-13-9/h2-6H,7-8H2,1H3,(H,12,13)(H,16,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide has a molecular weight of 246.27 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 64529642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).