N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide

C11H13N5O2 — CID 63939068

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H13N5O2/c1-15(7-9-12-4-5-13-9)10(17)8-16-6-2-3-14-11(16)18/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyMNAADYUIHLTOHW-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.38
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 63939068) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID63939068
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H13N5O2/c1-15(7-9-12-4-5-13-9)10(17)8-16-6-2-3-14-11(16)18/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyMNAADYUIHLTOHW-UHFFFAOYSA-N
XLogP-0.38
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.38
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-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide (CID 63939068) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide is CN(Cc1ncc[nH]1)C(=O)Cn1cccnc1=O.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is MNAADYUIHLTOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15(7-9-12-4-5-13-9)10(17)8-16-6-2-3-14-11(16)18/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 247.26 g/mol, XLogP of -0.38, 4 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-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63939068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).