2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide

C12H14N6O2 — CID 71789871

IUPAC2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
SMILESCC(=O)N(C)CC(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C12H14N6O2/c1-9(19)17(2)7-11(20)16-10-5-14-12(15-6-10)18-4-3-13-8-18/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyLAEWKVUQGFJESR-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.08
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide

2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide (PubChem CID 71789871) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
PubChem CID71789871
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
SMILESCC(=O)N(C)CC(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C12H14N6O2/c1-9(19)17(2)7-11(20)16-10-5-14-12(15-6-10)18-4-3-13-8-18/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyLAEWKVUQGFJESR-UHFFFAOYSA-N
XLogP0.08
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide (CID 71789871) is 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide is CC(=O)N(C)CC(=O)Nc1cnc(-n2ccnc2)nc1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is LAEWKVUQGFJESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-9(19)17(2)7-11(20)16-10-5-14-12(15-6-10)18-4-3-13-8-18/h3-6,8H,7H2,1-2H3,(H,16,20).
What are the key properties of 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide?
2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 71789871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).