2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

C21H21FN4O — CID 109256997

IUPAC2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C21H21FN4O/c1-3-26(18-9-6-7-15(2)11-18)21-24-13-17(14-25-21)20(27)23-12-16-8-4-5-10-19(16)22/h4-11,13-14H,3,12H2,1-2H3,(H,23,27)
InChIKeyYMQIQYXSBLPEHA-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.01
Rot. Bonds6

About 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256997) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256997
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C21H21FN4O/c1-3-26(18-9-6-7-15(2)11-18)21-24-13-17(14-25-21)20(27)23-12-16-8-4-5-10-19(16)22/h4-11,13-14H,3,12H2,1-2H3,(H,23,27)
InChIKeyYMQIQYXSBLPEHA-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256934
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369741
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268042
2-(N-ethyl-3-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256472
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 109256997) is 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is CCN(c1cccc(C)c1)c1ncc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is YMQIQYXSBLPEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-3-26(18-9-6-7-15(2)11-18)21-24-13-17(14-25-21)20(27)23-12-16-8-4-5-10-19(16)22/h4-11,13-14H,3,12H2,1-2H3,(H,23,27).
What are the key properties of 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).