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

C19H17FN4O — CID 109357311

IUPACN-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C19H17FN4O/c1-2-13-6-3-4-9-16(13)24-19(25)17-11-18(22-12-21-17)23-15-8-5-7-14(20)10-15/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyUHHFXGQBKYQKPK-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.17
Rot. Bonds5

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

N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109357311) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109357311
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C19H17FN4O/c1-2-13-6-3-4-9-16(13)24-19(25)17-11-18(22-12-21-17)23-15-8-5-7-14(20)10-15/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyUHHFXGQBKYQKPK-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-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109357289
N-(2,3-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357229
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
6-N-(2-ethylphenyl)-2-N-(3-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100559
6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359671
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide (CID 109357311) is N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(Nc2cccc(F)c2)ncn1.
What is the InChIKey of N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is UHHFXGQBKYQKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-13-6-3-4-9-16(13)24-19(25)17-11-18(22-12-21-17)23-15-8-5-7-14(20)10-15/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
N-(2-ethylphenyl)-6-(3-fluoroanilino)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 N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).