N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide

C20H19FN4O — CID 109255233

IUPACN-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H19FN4O/c21-18-8-6-15(7-9-18)10-11-22-20-24-13-17(14-25-20)19(26)23-12-16-4-2-1-3-5-16/h1-9,13-14H,10-12H2,(H,23,26)(H,22,24,25)
InChIKeyKWVCKQGUXCRJLK-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.20
Rot. Bonds7

About N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide

N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109255233) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109255233
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H19FN4O/c21-18-8-6-15(7-9-18)10-11-22-20-24-13-17(14-25-20)19(26)23-12-16-4-2-1-3-5-16/h1-9,13-14H,10-12H2,(H,23,26)(H,22,24,25)
InChIKeyKWVCKQGUXCRJLK-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109257489
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide (CID 109255233) is N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide is O=C(NCc1ccccc1)c1cnc(NCCc2ccc(F)cc2)nc1.
What is the InChIKey of N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is KWVCKQGUXCRJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-18-8-6-15(7-9-18)10-11-22-20-24-13-17(14-25-20)19(26)23-12-16-4-2-1-3-5-16/h1-9,13-14H,10-12H2,(H,23,26)(H,22,24,25).
What are the key properties of N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide?
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).