2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide

C21H19N5O — CID 109267752

IUPAC2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(C#N)c2)nc1
InChIInChI=1S/C21H19N5O/c1-3-16-8-4-6-14(2)19(16)26-20(27)17-12-23-21(24-13-17)25-18-9-5-7-15(10-18)11-22/h4-10,12-13H,3H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyQGGIKQWHKFTCOF-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.22
Rot. Bonds5

About 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide

2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267752) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109267752
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(C#N)c2)nc1
InChIInChI=1S/C21H19N5O/c1-3-16-8-4-6-14(2)19(16)26-20(27)17-12-23-21(24-13-17)25-18-9-5-7-15(10-18)11-22/h4-10,12-13H,3H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyQGGIKQWHKFTCOF-UHFFFAOYSA-N
XLogP4.22
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
CID 109267799
2-(3-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266441
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220395
methyl 3-[[2-(2-ethyl-6-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267789
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
methyl 2-[[2-(3-cyanoanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270197
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109292172
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267749
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide (CID 109267752) is 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(C#N)c2)nc1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is QGGIKQWHKFTCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-16-8-4-6-14(2)19(16)26-20(27)17-12-23-21(24-13-17)25-18-9-5-7-15(10-18)11-22/h4-10,12-13H,3H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).