6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

C19H16F2N4O2 — CID 109359090

IUPAC6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3)ncn2)cc1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-14-6-3-12(4-7-14)25-19(26)17-10-18(23-11-22-17)24-13-5-8-15(20)16(21)9-13/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyKUKXLMQWQLNKEX-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.15
Rot. Bonds6

About 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109359090) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109359090
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3)ncn2)cc1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-14-6-3-12(4-7-14)25-19(26)17-10-18(23-11-22-17)24-13-5-8-15(20)16(21)9-13/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyKUKXLMQWQLNKEX-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-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109200045
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
6-(4-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109358423
6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164202
N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109356120
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109359090) is 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3)ncn2)cc1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is KUKXLMQWQLNKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-2-27-14-6-3-12(4-7-14)25-19(26)17-10-18(23-11-22-17)24-13-5-8-15(20)16(21)9-13/h3-11H,2H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-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 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).