2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide

C12H10ClN3O — CID 154146812

IUPAC2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide
SMILESNC(=O)Cc1ccnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10ClN3O/c13-9-3-1-8(2-4-9)12-15-6-5-10(16-12)7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyIXSOQIWMYUWGOO-UHFFFAOYSA-N
MW247.69 g/mol
LogP1.82
Rot. Bonds3

About 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide

2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide (PubChem CID 154146812) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide
PubChem CID154146812
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide
SMILESNC(=O)Cc1ccnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10ClN3O/c13-9-3-1-8(2-4-9)12-15-6-5-10(16-12)7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyIXSOQIWMYUWGOO-UHFFFAOYSA-N
XLogP1.82
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide (CID 154146812) is 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide is NC(=O)Cc1ccnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide?
The InChIKey is IXSOQIWMYUWGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-9-3-1-8(2-4-9)12-15-6-5-10(16-12)7-11(14)17/h1-6H,7H2,(H2,14,17).
What are the key properties of 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide?
2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide has a molecular weight of 247.69 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 154146812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).