6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

C18H11F2N5O — CID 109359923

IUPAC6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1Nc1cc(C(=O)Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C18H11F2N5O/c19-13-6-5-12(7-14(13)20)24-18(26)16-8-17(23-10-22-16)25-15-4-2-1-3-11(15)9-21/h1-8,10H,(H,24,26)(H,22,23,25)
InChIKeyOEBVBEKOTVITDP-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

About 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109359923) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109359923
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1Nc1cc(C(=O)Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C18H11F2N5O/c19-13-6-5-12(7-14(13)20)24-18(26)16-8-17(23-10-22-16)25-15-4-2-1-3-11(15)9-21/h1-8,10H,(H,24,26)(H,22,23,25)
InChIKeyOEBVBEKOTVITDP-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

6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109356188
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109356045
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294662
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109359923) is 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is N#Cc1ccccc1Nc1cc(C(=O)Nc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is OEBVBEKOTVITDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-13-6-5-12(7-14(13)20)24-18(26)16-8-17(23-10-22-16)25-15-4-2-1-3-11(15)9-21/h1-8,10H,(H,24,26)(H,22,23,25).
What are the key properties of 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)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 6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).