N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide

C19H16F2N4O — CID 109267710

IUPACN-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H16F2N4O/c1-2-25(15-6-4-3-5-7-15)19-22-11-13(12-23-19)18(26)24-14-8-9-16(20)17(21)10-14/h3-12H,2H2,1H3,(H,24,26)
InChIKeyWXMFGYZKAURMST-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.17
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide

N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109267710) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109267710
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H16F2N4O/c1-2-25(15-6-4-3-5-7-15)19-22-11-13(12-23-19)18(26)24-14-8-9-16(20)17(21)10-14/h3-12H,2H2,1H3,(H,24,26)
InChIKeyWXMFGYZKAURMST-UHFFFAOYSA-N
XLogP4.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267691
N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113017591
N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
CID 53007857
ethyl 4-[[2-(N-ethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267693
2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256934
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092396
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267666
N-(3,4-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-5-carboxamide
CID 109261795
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982
2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265734

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide (CID 109267710) is N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide is CCN(c1ccccc1)c1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is WXMFGYZKAURMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-2-25(15-6-4-3-5-7-15)19-22-11-13(12-23-19)18(26)24-14-8-9-16(20)17(21)10-14/h3-12H,2H2,1H3,(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).