6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C19H17FN4O — CID 109350623

IUPAC6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C19H17FN4O/c20-15-7-4-8-16(11-15)24-18-12-17(22-13-23-18)19(25)21-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23,24)
InChIKeyODKFKRCJCXGVAT-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.33
Rot. Bonds6

About 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109350623) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109350623
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C19H17FN4O/c20-15-7-4-8-16(11-15)24-18-12-17(22-13-23-18)19(25)21-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23,24)
InChIKeyODKFKRCJCXGVAT-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

6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640
N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109350612
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109342721
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352293
methyl 4-[[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109350619
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344662
6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109352406
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109350623) is 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1cc(Nc2cccc(F)c2)ncn1.
What is the InChIKey of 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is ODKFKRCJCXGVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-7-4-8-16(11-15)24-18-12-17(22-13-23-18)19(25)21-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23,24).
What are the key properties of 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-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 6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).