2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

C19H17FN4O — CID 109259439

IUPAC2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C19H17FN4O/c20-16-8-4-5-9-17(16)24-19-22-12-15(13-23-19)18(25)21-11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyMIHVYUQPKPVZMW-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.33
Rot. Bonds6

About 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109259439) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109259439
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C19H17FN4O/c20-16-8-4-5-9-17(16)24-19-22-12-15(13-23-19)18(25)21-11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyMIHVYUQPKPVZMW-UHFFFAOYSA-N
XLogP3.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109261408
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109261399
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
N-[2-(4-chlorophenyl)ethyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109261403
N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262614
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 109259439) is 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is O=C(NCCc1ccccc1)c1cnc(Nc2ccccc2F)nc1.
What is the InChIKey of 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is MIHVYUQPKPVZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-16-8-4-5-9-17(16)24-19-22-12-15(13-23-19)18(25)21-11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).