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

C19H16F2N4O2 — CID 109317819

IUPACN-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-16-9-4-3-8-14(16)23-19-22-11-10-15(24-19)18(26)25-17-12(20)6-5-7-13(17)21/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24)
InChIKeySOYSDIXNAXWALM-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.15
Rot. Bonds6

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

N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317819) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317819
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-16-9-4-3-8-14(16)23-19-22-11-10-15(24-19)18(26)25-17-12(20)6-5-7-13(17)21/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24)
InChIKeySOYSDIXNAXWALM-UHFFFAOYSA-N
XLogP4.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109317808
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(2,6-difluorophenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109200015
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702
methyl 4-[[2-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109317806
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316179
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide (CID 109317819) is N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1nccc(C(=O)Nc2c(F)cccc2F)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is SOYSDIXNAXWALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-2-27-16-9-4-3-8-14(16)23-19-22-11-10-15(24-19)18(26)25-17-12(20)6-5-7-13(17)21/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).