N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

C23H25FN4O — CID 109329547

IUPACN-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C23H25FN4O/c1-3-28(16-19-7-5-4-6-8-19)22(29)21-15-17(2)26-23(27-21)25-14-13-18-9-11-20(24)12-10-18/h4-12,15H,3,13-14,16H2,1-2H3,(H,25,26,27)
InChIKeySYWHKBJDDFORNB-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.24
Rot. Bonds8

About N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109329547) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109329547
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C23H25FN4O/c1-3-28(16-19-7-5-4-6-8-19)22(29)21-15-17(2)26-23(27-21)25-14-13-18-9-11-20(24)12-10-18/h4-12,15H,3,13-14,16H2,1-2H3,(H,25,26,27)
InChIKeySYWHKBJDDFORNB-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109330815
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109328957
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673
N-butyl-2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109330806
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (CID 109329547) is N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(C)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is SYWHKBJDDFORNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-3-28(16-19-7-5-4-6-8-19)22(29)21-15-17(2)26-23(27-21)25-14-13-18-9-11-20(24)12-10-18/h4-12,15H,3,13-14,16H2,1-2H3,(H,25,26,27).
What are the key properties of N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).