3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide

C18H19F3N4O — CID 52944021

IUPAC3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide
SMILES[H]/N=C/c1nc(CCC)cc(-c2cc(C(=O)N(C)C)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H19F3N4O/c1-4-5-14-9-15(24-16(10-22)23-14)11-6-12(17(26)25(2)3)8-13(7-11)18(19,20)21/h6-10,22H,4-5H2,1-3H3/b22-10+
InChIKeyFLPAOFVJMBOQGB-LSHDLFTRSA-N
MW364.37 g/mol
LogP3.81
Rot. Bonds5

About 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide

3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide (PubChem CID 52944021) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide
PubChem CID52944021
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide
SMILES[H]/N=C/c1nc(CCC)cc(-c2cc(C(=O)N(C)C)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H19F3N4O/c1-4-5-14-9-15(24-16(10-22)23-14)11-6-12(17(26)25(2)3)8-13(7-11)18(19,20)21/h6-10,22H,4-5H2,1-3H3/b22-10+
InChIKeyFLPAOFVJMBOQGB-LSHDLFTRSA-N
XLogP3.81
TPSA69.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide (CID 52944021) is 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide is [H]/N=C/c1nc(CCC)cc(-c2cc(C(=O)N(C)C)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide?
The InChIKey is FLPAOFVJMBOQGB-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-4-5-14-9-15(24-16(10-22)23-14)11-6-12(17(26)25(2)3)8-13(7-11)18(19,20)21/h6-10,22H,4-5H2,1-3H3/b22-10+.
What are the key properties of 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide?
3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methanimidoyl-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 52944021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).