N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide

C18H11F2N5O — CID 109359804

IUPACN-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C18H11F2N5O/c19-12-5-6-15(13(20)7-12)24-17-8-16(22-10-23-17)18(26)25-14-4-2-1-3-11(14)9-21/h1-8,10H,(H,25,26)(H,22,23,24)
InChIKeyICIRYQNJFJFDBR-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

About N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109359804) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
PubChem CID109359804
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C18H11F2N5O/c19-12-5-6-15(13(20)7-12)24-17-8-16(22-10-23-17)18(26)25-14-4-2-1-3-11(14)9-21/h1-8,10H,(H,25,26)(H,22,23,24)
InChIKeyICIRYQNJFJFDBR-UHFFFAOYSA-N
XLogP3.62
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109358468
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide (CID 109359804) is N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide is N#Cc1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2F)ncn1.
What is the InChIKey of N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is ICIRYQNJFJFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-12-5-6-15(13(20)7-12)24-17-8-16(22-10-23-17)18(26)25-14-4-2-1-3-11(14)9-21/h1-8,10H,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).