N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide

C18H14F2N4O2 — CID 109317538

IUPACN-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H14F2N4O2/c1-26-16-5-3-2-4-14(16)23-18-21-9-8-15(24-18)17(25)22-13-7-6-11(19)10-12(13)20/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyYTZZWHYHQVZDKW-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.76
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide

N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317538) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317538
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC NameN-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H14F2N4O2/c1-26-16-5-3-2-4-14(16)23-18-21-9-8-15(24-18)17(25)22-13-7-6-11(19)10-12(13)20/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyYTZZWHYHQVZDKW-UHFFFAOYSA-N
XLogP3.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-difluorophenyl)-2-(2-methoxyanilino)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-(2,4-difluoroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317953
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
ethyl 2-[[4-[(2,4-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318653
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide (CID 109317538) is N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide is COc1ccccc1Nc1nccc(C(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is YTZZWHYHQVZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-26-16-5-3-2-4-14(16)23-18-21-9-8-15(24-18)17(25)22-13-7-6-11(19)10-12(13)20/h2-10H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).