6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide

C22H23N5O2 — CID 109357545

IUPAC6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ncn1
InChIInChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)21(16)27-22(29)19-12-20(24-13-23-19)26-18-10-8-17(9-11-18)25-15(3)28/h5-13H,4H2,1-3H3,(H,25,28)(H,27,29)(H,23,24,26)
InChIKeyLRBNXMSTRGSECC-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.30
Rot. Bonds6

About 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide

6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357545) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109357545
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ncn1
InChIInChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)21(16)27-22(29)19-12-20(24-13-23-19)26-18-10-8-17(9-11-18)25-15(3)28/h5-13H,4H2,1-3H3,(H,25,28)(H,27,29)(H,23,24,26)
InChIKeyLRBNXMSTRGSECC-UHFFFAOYSA-N
XLogP4.30
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109357704
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109128147
N-(2,6-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109357133
N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357553
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
1-[4-[[6-(2-ethyl-6-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865488
6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357540
N-(4-acetamidophenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198611
ethyl 4-[[6-(2,6-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357110
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109177005

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide (CID 109357545) is 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ncn1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LRBNXMSTRGSECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)21(16)27-22(29)19-12-20(24-13-23-19)26-18-10-8-17(9-11-18)25-15(3)28/h5-13H,4H2,1-3H3,(H,25,28)(H,27,29)(H,23,24,26).
What are the key properties of 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).