N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C22H21N5O — CID 112849682

IUPACN-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)c(C)c1
InChIInChI=1S/C22H21N5O/c1-13-9-14(2)21(15(3)10-13)27-20-11-19(24-16(4)25-20)22(28)26-18-8-6-5-7-17(18)12-23/h5-11H,1-4H3,(H,26,28)(H,24,25,27)
InChIKeyGWSLZWVGUSAWCP-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.58
Rot. Bonds4

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

N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 112849682) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID112849682
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)c(C)c1
InChIInChI=1S/C22H21N5O/c1-13-9-14(2)21(15(3)10-13)27-20-11-19(24-16(4)25-20)22(28)26-18-8-6-5-7-17(18)12-23/h5-11H,1-4H3,(H,26,28)(H,24,25,27)
InChIKeyGWSLZWVGUSAWCP-UHFFFAOYSA-N
XLogP4.58
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745
6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849713
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
2-(2-chloro-4,6-dimethylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337375
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 112849682) is N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)c(Nc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)c(C)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is GWSLZWVGUSAWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-13-9-14(2)21(15(3)10-13)27-20-11-19(24-16(4)25-20)22(28)26-18-8-6-5-7-17(18)12-23/h5-11H,1-4H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).