2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C21H19N5O — CID 109336078

IUPAC2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C21H19N5O/c1-13-5-4-6-14(2)19(13)26-20(27)18-11-15(3)23-21(25-18)24-17-9-7-16(12-22)8-10-17/h4-11H,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyIPDWQDMGFKDICR-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.27
Rot. Bonds4

About 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336078) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336078
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C21H19N5O/c1-13-5-4-6-14(2)19(13)26-20(27)18-11-15(3)23-21(25-18)24-17-9-7-16(12-22)8-10-17/h4-11H,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyIPDWQDMGFKDICR-UHFFFAOYSA-N
XLogP4.27
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338130
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
2-(3-chloro-4-methylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337316
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109338079
2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338146
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109336078) is 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2c(C)cccc2C)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is IPDWQDMGFKDICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-5-4-6-14(2)19(13)26-20(27)18-11-15(3)23-21(25-18)24-17-9-7-16(12-22)8-10-17/h4-11H,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).