N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide

C19H17FN4O — CID 109267578

IUPACN-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2ccccc2F)nc1)c1ccccc1
InChIInChI=1S/C19H17FN4O/c1-2-24(15-8-4-3-5-9-15)18(25)14-12-21-19(22-13-14)23-17-11-7-6-10-16(17)20/h3-13H,2H2,1H3,(H,21,22,23)
InChIKeyNPACBYGXXXCXMH-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.03
Rot. Bonds5

About N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide

N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide (PubChem CID 109267578) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
PubChem CID109267578
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2ccccc2F)nc1)c1ccccc1
InChIInChI=1S/C19H17FN4O/c1-2-24(15-8-4-3-5-9-15)18(25)14-12-21-19(22-13-14)23-17-11-7-6-10-16(17)20/h3-13H,2H2,1H3,(H,21,22,23)
InChIKeyNPACBYGXXXCXMH-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265884
2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267626
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109266763
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide (CID 109267578) is N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(Nc2ccccc2F)nc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is NPACBYGXXXCXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-24(15-8-4-3-5-9-15)18(25)14-12-21-19(22-13-14)23-17-11-7-6-10-16(17)20/h3-13H,2H2,1H3,(H,21,22,23).
What are the key properties of N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide?
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109267578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).