6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide

C23H23N5O — CID 112849713

IUPAC6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C#N)cc(C(=O)Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C23H23N5O/c1-14(2)18-10-7-8-15(3)22(18)28-23(29)20-12-21(26-16(4)25-20)27-19-11-6-5-9-17(19)13-24/h5-12,14H,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyWDGINZMYGFCHAT-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.08
Rot. Bonds5

About 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide

6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 112849713) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID112849713
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C#N)cc(C(=O)Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C23H23N5O/c1-14(2)18-10-7-8-15(3)22(18)28-23(29)20-12-21(26-16(4)25-20)27-19-11-6-5-9-17(19)13-24/h5-12,14H,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyWDGINZMYGFCHAT-UHFFFAOYSA-N
XLogP5.08
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849625
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
6-(cyclopropylamino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109360875
2-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877501
2-[[6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112929185
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108991723

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 112849713) is 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2C#N)cc(C(=O)Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is WDGINZMYGFCHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-14(2)18-10-7-8-15(3)22(18)28-23(29)20-12-21(26-16(4)25-20)27-19-11-6-5-9-17(19)13-24/h5-12,14H,1-4H3,(H,28,29)(H,25,26,27).
What are the key properties of 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).