N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide

C19H17FN4O — CID 109315593

IUPACN-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN4O/c1-2-13-5-3-4-6-16(13)23-18(25)17-11-12-21-19(24-17)22-15-9-7-14(20)8-10-15/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyVIFYUECWAMKCKN-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.17
Rot. Bonds5

About N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide

N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109315593) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109315593
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN4O/c1-2-13-5-3-4-6-16(13)23-18(25)17-11-12-21-19(24-17)22-15-9-7-14(20)8-10-15/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyVIFYUECWAMKCKN-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylphenyl)-2-(4-fluoroanilino)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

N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-(2-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315653
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide (CID 109315593) is N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is VIFYUECWAMKCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-13-5-3-4-6-16(13)23-18(25)17-11-12-21-19(24-17)22-15-9-7-14(20)8-10-15/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide?
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).