N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide

C19H17FN4O — CID 109267292

IUPACN-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C19H17FN4O/c1-2-13-5-3-4-6-17(13)24-18(25)14-11-21-19(22-12-14)23-16-9-7-15(20)8-10-16/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyHIVAMZUMDIQURA-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.17
Rot. Bonds5

About N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide

N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109267292) 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-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109267292
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C19H17FN4O/c1-2-13-5-3-4-6-17(13)24-18(25)14-11-21-19(22-12-14)23-16-9-7-15(20)8-10-16/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyHIVAMZUMDIQURA-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

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Related Compounds

N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide (CID 109267292) is N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1cnc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is HIVAMZUMDIQURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-13-5-3-4-6-17(13)24-18(25)14-11-21-19(22-12-14)23-16-9-7-15(20)8-10-16/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 109267292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).