N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide

C22H23FN4O — CID 112854017

IUPACN-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NCc2ccccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)27-21(28)18-13-19(24-14-16-11-7-8-12-17(16)23)26-20(25-18)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyANWBTEUSGJPPNE-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.42
Rot. Bonds5

About N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide

N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854017) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
PubChem CID112854017
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NCc2ccccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)27-21(28)18-13-19(24-14-16-11-7-8-12-17(16)23)26-20(25-18)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyANWBTEUSGJPPNE-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854020
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854311
6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852508
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494
6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-2-phenylpyrimidine-4-carboxamide
CID 112854344
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370215

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide (CID 112854017) is N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide is CC(C)(C)NC(=O)c1cc(NCc2ccccc2F)nc(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is ANWBTEUSGJPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-22(2,3)27-21(28)18-13-19(24-14-16-11-7-8-12-17(16)23)26-20(25-18)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).