2-phenyl-2-pyrimidin-4-ylacetamide

C12H11N3O — CID 69091558

IUPAC2-phenyl-2-pyrimidin-4-ylacetamide
SMILESNC(=O)C(c1ccccc1)c1ccncn1
InChIInChI=1S/C12H11N3O/c13-12(16)11(9-4-2-1-3-5-9)10-6-7-14-8-15-10/h1-8,11H,(H2,13,16)
InChIKeyIMCUTTFYGIHKPC-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.09
Rot. Bonds3

About 2-phenyl-2-pyrimidin-4-ylacetamide

2-phenyl-2-pyrimidin-4-ylacetamide (PubChem CID 69091558) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-phenyl-2-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-phenyl-2-pyrimidin-4-ylacetamide
PubChem CID69091558
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-phenyl-2-pyrimidin-4-ylacetamide
SMILESNC(=O)C(c1ccccc1)c1ccncn1
InChIInChI=1S/C12H11N3O/c13-12(16)11(9-4-2-1-3-5-9)10-6-7-14-8-15-10/h1-8,11H,(H2,13,16)
InChIKeyIMCUTTFYGIHKPC-UHFFFAOYSA-N
XLogP1.09
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-pyrimidin-4-ylacetic acid
CID 23132468
2-phenyl-2-(2-phenyl-4-pyridinyl)acetamide
CID 69129483
2-[4-(3-hydroxyphenyl)-2-pyridinyl]-2-phenylacetamide
CID 69340271
3-phenyl-2-pyrimidin-4-ylpropanoic acid
CID 104571562
4-amino-3-pyrimidin-4-ylbutanoic acid
CID 66097677
2-phenyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)acetamide
CID 140699367
2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide
CID 87790319
2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid
CID 175113116
3-pyrimidin-4-ylbutanoic acid
CID 82597054
3-(2-fluorophenyl)-3-pyrimidin-4-ylpropanoic acid
CID 116833998
(3S)-3-acetamido-3-pyrimidin-4-ylpropanoic acid
CID 78955615
1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 130575371

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrimidin-4-ylacetamide?
The IUPAC name of 2-phenyl-2-pyrimidin-4-ylacetamide (CID 69091558) is 2-phenyl-2-pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-phenyl-2-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-phenyl-2-pyrimidin-4-ylacetamide is NC(=O)C(c1ccccc1)c1ccncn1.
What is the InChIKey of 2-phenyl-2-pyrimidin-4-ylacetamide?
The InChIKey is IMCUTTFYGIHKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-12(16)11(9-4-2-1-3-5-9)10-6-7-14-8-15-10/h1-8,11H,(H2,13,16).
What are the key properties of 2-phenyl-2-pyrimidin-4-ylacetamide?
2-phenyl-2-pyrimidin-4-ylacetamide has a molecular weight of 213.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrimidin-4-ylacetamide is sourced from PubChem (CID 69091558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).