2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C9H10N4O — CID 14973353

IUPAC2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)CC#N)n1
InChIInChI=1S/C9H10N4O/c1-6-5-7(2)12-9(11-6)13-8(14)3-4-10/h5H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyXAYNCBRHNGLKTJ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.95
Rot. Bonds2

About 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 14973353) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID14973353
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)CC#N)n1
InChIInChI=1S/C9H10N4O/c1-6-5-7(2)12-9(11-6)13-8(14)3-4-10/h5H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyXAYNCBRHNGLKTJ-UHFFFAOYSA-N
XLogP0.95
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 14973353) is 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)CC#N)n1.
What is the InChIKey of 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is XAYNCBRHNGLKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-5-7(2)12-9(11-6)13-8(14)3-4-10/h5H,3H2,1-2H3,(H,11,12,13,14).
What are the key properties of 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 190.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 14973353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).