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

C21H21FN4O — CID 109329511

IUPAC2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O/c1-3-26(14-16-7-5-4-6-8-16)21-23-15(2)13-19(25-21)20(27)24-18-11-9-17(22)10-12-18/h4-13H,3,14H2,1-2H3,(H,24,27)
InChIKeyZNYWVSHUKMAQKM-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.20
Rot. Bonds6

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

2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109329511) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109329511
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O/c1-3-26(14-16-7-5-4-6-8-16)21-23-15(2)13-19(25-21)20(27)24-18-11-9-17(22)10-12-18/h4-13H,3,14H2,1-2H3,(H,24,27)
InChIKeyZNYWVSHUKMAQKM-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329524
2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
CID 109329482
2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329498
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
N-(3,4-dichlorophenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332307
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
2-[benzyl(propan-2-yl)amino]-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109333030
2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328260
2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109329471

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109329511) is 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nc(C)cc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZNYWVSHUKMAQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-3-26(14-16-7-5-4-6-8-16)21-23-15(2)13-19(25-21)20(27)24-18-11-9-17(22)10-12-18/h4-13H,3,14H2,1-2H3,(H,24,27).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).