N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide

C19H20F2N6O — CID 56920464

IUPACN-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide
SMILESCc1nc(NCCNC(=O)c2ccc(F)cc2F)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C19H20F2N6O/c1-11-12(2)27(10-24-11)18-9-17(25-13(3)26-18)22-6-7-23-19(28)15-5-4-14(20)8-16(15)21/h4-5,8-10H,6-7H2,1-3H3,(H,23,28)(H,22,25,26)
InChIKeyUWHFYUINFRYCAO-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.71
Rot. Bonds6

About N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide

N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide (PubChem CID 56920464) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide
PubChem CID56920464
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC NameN-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide
SMILESCc1nc(NCCNC(=O)c2ccc(F)cc2F)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C19H20F2N6O/c1-11-12(2)27(10-24-11)18-9-17(25-13(3)26-18)22-6-7-23-19(28)15-5-4-14(20)8-16(15)21/h4-5,8-10H,6-7H2,1-3H3,(H,23,28)(H,22,25,26)
InChIKeyUWHFYUINFRYCAO-UHFFFAOYSA-N
XLogP2.71
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide (CID 56920464) is N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide is Cc1nc(NCCNC(=O)c2ccc(F)cc2F)cc(-n2cnc(C)c2C)n1.
What is the InChIKey of N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide?
The InChIKey is UWHFYUINFRYCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-11-12(2)27(10-24-11)18-9-17(25-13(3)26-18)22-6-7-23-19(28)15-5-4-14(20)8-16(15)21/h4-5,8-10H,6-7H2,1-3H3,(H,23,28)(H,22,25,26).
What are the key properties of N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide?
N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide has a molecular weight of 386.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 56920464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).