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

C22H23FN4O2 — CID 112853219

IUPAC6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4O2/c1-29-14-13-25-22(28)19-15-20(24-12-11-16-7-9-18(23)10-8-16)27-21(26-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyDZXFFUJVQBFAIS-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.31
Rot. Bonds9

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

6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853219) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853219
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4O2/c1-29-14-13-25-22(28)19-15-20(24-12-11-16-7-9-18(23)10-8-16)27-21(26-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyDZXFFUJVQBFAIS-UHFFFAOYSA-N
XLogP3.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
4-N-[2-(4-fluorophenyl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880403
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (CID 112853219) is 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is COCCNC(=O)c1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is DZXFFUJVQBFAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-14-13-25-22(28)19-15-20(24-12-11-16-7-9-18(23)10-8-16)27-21(26-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).