2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide

C18H11F2N5O — CID 109270726

IUPAC2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3F)cn2)cc1
InChIInChI=1S/C18H11F2N5O/c19-14-2-1-3-15(20)16(14)25-17(26)12-9-22-18(23-10-12)24-13-6-4-11(8-21)5-7-13/h1-7,9-10H,(H,25,26)(H,22,23,24)
InChIKeyXTLJUUNYZJWZAO-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide

2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109270726) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide
PubChem CID109270726
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3F)cn2)cc1
InChIInChI=1S/C18H11F2N5O/c19-14-2-1-3-15(20)16(14)25-17(26)12-9-22-18(23-10-12)24-13-6-4-11(8-21)5-7-13/h1-7,9-10H,(H,25,26)(H,22,23,24)
InChIKeyXTLJUUNYZJWZAO-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

2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268383
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 109179026
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050
2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109270091
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269995

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide (CID 109270726) is 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide is N#Cc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3F)cn2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is XTLJUUNYZJWZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-14-2-1-3-15(20)16(14)25-17(26)12-9-22-18(23-10-12)24-13-6-4-11(8-21)5-7-13/h1-7,9-10H,(H,25,26)(H,22,23,24).
What are the key properties of 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide?
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-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 2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).