2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide

C19H17FN4O3 — CID 109269933

IUPAC2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(Nc2ncc(C(=O)Nc3cccc(F)c3)cn2)c1
InChIInChI=1S/C19H17FN4O3/c1-26-15-6-7-17(27-2)16(9-15)24-19-21-10-12(11-22-19)18(25)23-14-5-3-4-13(20)8-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVIESZVGEABZMTE-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.63
Rot. Bonds6

About 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide

2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109269933) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109269933
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(Nc2ncc(C(=O)Nc3cccc(F)c3)cn2)c1
InChIInChI=1S/C19H17FN4O3/c1-26-15-6-7-17(27-2)16(9-15)24-19-21-10-12(11-22-19)18(25)23-14-5-3-4-13(20)8-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVIESZVGEABZMTE-UHFFFAOYSA-N
XLogP3.63
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293907
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660
N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109164310
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide (CID 109269933) is 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide is COc1ccc(OC)c(Nc2ncc(C(=O)Nc3cccc(F)c3)cn2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is VIESZVGEABZMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-26-15-6-7-17(27-2)16(9-15)24-19-21-10-12(11-22-19)18(25)23-14-5-3-4-13(20)8-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).