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

C21H21FN4O — CID 109330815

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O/c1-15-14-19(20(27)26(2)18-6-4-3-5-7-18)25-21(24-15)23-13-12-16-8-10-17(22)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,23,24,25)
InChIKeySSEQZHLAZOIYES-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.86
Rot. Bonds6

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

2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109330815) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109330815
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O/c1-15-14-19(20(27)26(2)18-6-4-3-5-7-18)25-21(24-15)23-13-12-16-8-10-17(22)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,23,24,25)
InChIKeySSEQZHLAZOIYES-UHFFFAOYSA-N
XLogP3.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109329547
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,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141
N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109327605
2-[(3,4-dimethoxyphenyl)methylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109331757
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109326830
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 109330815) is 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)c2ccccc2)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is SSEQZHLAZOIYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-14-19(20(27)26(2)18-6-4-3-5-7-18)25-21(24-15)23-13-12-16-8-10-17(22)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109330815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).