N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide

C23H23N5O — CID 109336635

IUPACN-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nc(C)cc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C23H23N5O/c1-4-16-10-8-11-17(5-2)21(16)28-23-25-15(3)13-20(27-23)22(29)26-19-12-7-6-9-18(19)14-24/h6-13H,4-5H2,1-3H3,(H,26,29)(H,25,27,28)
InChIKeyRFHWAZGDMHOZOF-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.78
Rot. Bonds6

About N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336635) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336635
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nc(C)cc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C23H23N5O/c1-4-16-10-8-11-17(5-2)21(16)28-23-25-15(3)13-20(27-23)22(29)26-19-12-7-6-9-18(19)14-24/h6-13H,4-5H2,1-3H3,(H,26,29)(H,25,27,28)
InChIKeyRFHWAZGDMHOZOF-UHFFFAOYSA-N
XLogP4.78
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
2-(2-chloro-4,6-dimethylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337375
2-[[2-(2,6-diethylanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112929147
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-[[4-(2,6-diethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929134
2-(4-chloro-2-methylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337276
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109336635) is N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide is CCc1cccc(CC)c1Nc1nc(C)cc(C(=O)Nc2ccccc2C#N)n1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is RFHWAZGDMHOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-4-16-10-8-11-17(5-2)21(16)28-23-25-15(3)13-20(27-23)22(29)26-19-12-7-6-9-18(19)14-24/h6-13H,4-5H2,1-3H3,(H,26,29)(H,25,27,28).
What are the key properties of N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).