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

C19H16F2N4O2 — CID 109269742

IUPACN-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1Nc1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-16(17)25-19-22-10-12(11-23-19)18(26)24-13-7-8-14(20)15(21)9-13/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyWNJUUJPVOSDOGH-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.15
Rot. Bonds6

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

N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109269742) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109269742
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1Nc1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-16(17)25-19-22-10-12(11-23-19)18(26)24-13-7-8-14(20)15(21)9-13/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyWNJUUJPVOSDOGH-UHFFFAOYSA-N
XLogP4.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
CID 109129455
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109270508
2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109266635
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109257644
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide (CID 109269742) is N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide is CCOc1ccccc1Nc1ncc(C(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is WNJUUJPVOSDOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-16(17)25-19-22-10-12(11-23-19)18(26)24-13-7-8-14(20)15(21)9-13/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).