N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide

C19H16F2N4O3 — CID 109318035

IUPACN-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C19H16F2N4O3/c1-27-12-4-6-17(28-2)16(10-12)25-19-22-8-7-15(24-19)18(26)23-11-3-5-13(20)14(21)9-11/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyLOFJSGIHTNSBNJ-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.77
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109318035) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109318035
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C19H16F2N4O3/c1-27-12-4-6-17(28-2)16(10-12)25-19-22-8-7-15(24-19)18(26)23-11-3-5-13(20)14(21)9-11/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyLOFJSGIHTNSBNJ-UHFFFAOYSA-N
XLogP3.77
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109318006
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317459
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316103
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850
N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318052
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296243

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide (CID 109318035) is N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide is COc1ccc(OC)c(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is LOFJSGIHTNSBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-27-12-4-6-17(28-2)16(10-12)25-19-22-8-7-15(24-19)18(26)23-11-3-5-13(20)14(21)9-11/h3-10H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).