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

C12H16N6O — CID 64511713

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CN(C)c1ncccn1
InChIInChI=1S/C12H16N6O/c1-17(8-10-13-6-7-14-10)11(19)9-18(2)12-15-4-3-5-16-12/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKeySVNDEEGWQCXOMV-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.29
Rot. Bonds5

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

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide (PubChem CID 64511713) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide
PubChem CID64511713
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CN(C)c1ncccn1
InChIInChI=1S/C12H16N6O/c1-17(8-10-13-6-7-14-10)11(19)9-18(2)12-15-4-3-5-16-12/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKeySVNDEEGWQCXOMV-UHFFFAOYSA-N
XLogP0.29
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide (CID 64511713) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide is CN(Cc1ncc[nH]1)C(=O)CN(C)c1ncccn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The InChIKey is SVNDEEGWQCXOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-17(8-10-13-6-7-14-10)11(19)9-18(2)12-15-4-3-5-16-12/h3-7H,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 64511713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).