N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide

C19H16F2N4O — CID 109315717

IUPACN-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C19H16F2N4O/c1-2-12-6-8-13(9-7-12)23-19-22-11-10-16(24-19)18(26)25-17-14(20)4-3-5-15(17)21/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyXAPONSPMQTUAQL-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.31
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315717) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315717
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C19H16F2N4O/c1-2-12-6-8-13(9-7-12)23-19-22-11-10-16(24-19)18(26)25-17-14(20)4-3-5-15(17)21/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyXAPONSPMQTUAQL-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-[(2,6-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318359
2-(4-acetylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318222
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308320
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109318573
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide (CID 109315717) is N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide is CCc1ccc(Nc2nccc(C(=O)Nc3c(F)cccc3F)n2)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is XAPONSPMQTUAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-2-12-6-8-13(9-7-12)23-19-22-11-10-16(24-19)18(26)25-17-14(20)4-3-5-15(17)21/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).