N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide

C19H17FN4O — CID 109267473

IUPACN-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)cc1
InChIInChI=1S/C19H17FN4O/c1-2-13-6-8-16(9-7-13)23-18(25)14-11-21-19(22-12-14)24-17-5-3-4-15(20)10-17/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyNHFYIOHOOUSYOE-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.17
Rot. Bonds5

About N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide

N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109267473) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109267473
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)cc1
InChIInChI=1S/C19H17FN4O/c1-2-13-6-8-16(9-7-13)23-18(25)14-11-21-19(22-12-14)24-17-5-3-4-15(20)10-17/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyNHFYIOHOOUSYOE-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

2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
2-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270317
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109270413
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267440

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide (CID 109267473) is N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is NHFYIOHOOUSYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-13-6-8-16(9-7-13)23-18(25)14-11-21-19(22-12-14)24-17-5-3-4-15(20)10-17/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide?
N-(4-ethylphenyl)-2-(3-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-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).