N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide

C19H17FN4O — CID 109256548

IUPACN-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(Nc1ncc(C(=O)Nc2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C19H17FN4O/c1-13(14-5-3-2-4-6-14)23-19-21-11-15(12-22-19)18(25)24-17-9-7-16(20)8-10-17/h2-13H,1H3,(H,24,25)(H,21,22,23)
InChIKeyWUOMGYQLOOTRHD-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.04
Rot. Bonds5

About N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide

N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109256548) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109256548
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(Nc1ncc(C(=O)Nc2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C19H17FN4O/c1-13(14-5-3-2-4-6-14)23-19-21-11-15(12-22-19)18(25)24-17-9-7-16(20)8-10-17/h2-13H,1H3,(H,24,25)(H,21,22,23)
InChIKeyWUOMGYQLOOTRHD-UHFFFAOYSA-N
XLogP4.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-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

N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247206
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 48500610

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide (CID 109256548) is N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide is CC(Nc1ncc(C(=O)Nc2ccc(F)cc2)cn1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is WUOMGYQLOOTRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13(14-5-3-2-4-6-14)23-19-21-11-15(12-22-19)18(25)24-17-9-7-16(20)8-10-17/h2-13H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).