6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

C19H17FN4O — CID 109357328

IUPAC6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C19H17FN4O/c1-2-13-3-7-15(8-4-13)23-18-11-17(21-12-22-18)19(25)24-16-9-5-14(20)6-10-16/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyXJMCBDHPNWTKSC-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.17
Rot. Bonds5

About 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109357328) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109357328
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C19H17FN4O/c1-2-13-3-7-15(8-4-13)23-18-11-17(21-12-22-18)19(25)24-16-9-5-14(20)6-10-16/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyXJMCBDHPNWTKSC-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

6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357395
N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357948
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (CID 109357328) is 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is CCc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is XJMCBDHPNWTKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-13-3-7-15(8-4-13)23-18-11-17(21-12-22-18)19(25)24-16-9-5-14(20)6-10-16/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
6-(4-ethylanilino)-N-(4-fluorophenyl)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 6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).