N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide

C22H21FN4O — CID 112851870

IUPACN-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21FN4O/c23-17-8-6-15(7-9-17)12-13-24-20-14-19(22(28)25-18-10-11-18)26-21(27-20)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2,(H,25,28)(H,24,26,27)
InChIKeyOZPMWIOYPAWSTR-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.83
Rot. Bonds7

About N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide

N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851870) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
PubChem CID112851870
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21FN4O/c23-17-8-6-15(7-9-17)12-13-24-20-14-19(22(28)25-18-10-11-18)26-21(27-20)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2,(H,25,28)(H,24,26,27)
InChIKeyOZPMWIOYPAWSTR-UHFFFAOYSA-N
XLogP3.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-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-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide (CID 112851870) is N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide is O=C(NC1CC1)c1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is OZPMWIOYPAWSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-8-6-15(7-9-17)12-13-24-20-14-19(22(28)25-18-10-11-18)26-21(27-20)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2,(H,25,28)(H,24,26,27).
What are the key properties of N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide?
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).