N-methyl-2-pyrimidin-4-ylbenzamide

C12H11N3O — CID 68804434

IUPACN-methyl-2-pyrimidin-4-ylbenzamide
SMILESCNC(=O)c1ccccc1-c1ccncn1
InChIInChI=1S/C12H11N3O/c1-13-12(16)10-5-3-2-4-9(10)11-6-7-14-8-15-11/h2-8H,1H3,(H,13,16)
InChIKeyFPDZWFQWPSXLQF-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-2-pyrimidin-4-ylbenzamide

N-methyl-2-pyrimidin-4-ylbenzamide (PubChem CID 68804434) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-methyl-2-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound NameN-methyl-2-pyrimidin-4-ylbenzamide
PubChem CID68804434
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-methyl-2-pyrimidin-4-ylbenzamide
SMILESCNC(=O)c1ccccc1-c1ccncn1
InChIInChI=1S/C12H11N3O/c1-13-12(16)10-5-3-2-4-9(10)11-6-7-14-8-15-11/h2-8H,1H3,(H,13,16)
InChIKeyFPDZWFQWPSXLQF-UHFFFAOYSA-N
XLogP1.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrimidin-4-ylbenzamide?
The IUPAC name of N-methyl-2-pyrimidin-4-ylbenzamide (CID 68804434) is N-methyl-2-pyrimidin-4-ylbenzamide.
What is the SMILES notation for N-methyl-2-pyrimidin-4-ylbenzamide?
The canonical SMILES for N-methyl-2-pyrimidin-4-ylbenzamide is CNC(=O)c1ccccc1-c1ccncn1.
What is the InChIKey of N-methyl-2-pyrimidin-4-ylbenzamide?
The InChIKey is FPDZWFQWPSXLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-13-12(16)10-5-3-2-4-9(10)11-6-7-14-8-15-11/h2-8H,1H3,(H,13,16).
What are the key properties of N-methyl-2-pyrimidin-4-ylbenzamide?
N-methyl-2-pyrimidin-4-ylbenzamide has a molecular weight of 213.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 68804434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).