2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

C20H19FN4O — CID 109256934

IUPAC2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C20H19FN4O/c1-2-25(17-9-4-3-5-10-17)20-23-13-16(14-24-20)19(26)22-12-15-8-6-7-11-18(15)21/h3-11,13-14H,2,12H2,1H3,(H,22,26)
InChIKeyYWHNUZDTVOEQHU-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.70
Rot. Bonds6

About 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256934) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256934
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C20H19FN4O/c1-2-25(17-9-4-3-5-10-17)20-23-13-16(14-24-20)19(26)22-12-15-8-6-7-11-18(15)21/h3-11,13-14H,2,12H2,1H3,(H,22,26)
InChIKeyYWHNUZDTVOEQHU-UHFFFAOYSA-N
XLogP3.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109258023
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109254745
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 109256934) is 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is CCN(c1ccccc1)c1ncc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is YWHNUZDTVOEQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-25(17-9-4-3-5-10-17)20-23-13-16(14-24-20)19(26)22-12-15-8-6-7-11-18(15)21/h3-11,13-14H,2,12H2,1H3,(H,22,26).
What are the key properties of 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).