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

C22H23N5O2 — CID 109315987

IUPAC2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)20(16)27-21(29)19-12-13-23-22(26-19)25-18-10-8-17(9-11-18)24-15(3)28/h5-13H,4H2,1-3H3,(H,24,28)(H,27,29)(H,23,25,26)
InChIKeyHODUJVOQBJRCGY-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.30
Rot. Bonds6

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

2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315987) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109315987
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)20(16)27-21(29)19-12-13-23-22(26-19)25-18-10-8-17(9-11-18)24-15(3)28/h5-13H,4H2,1-3H3,(H,24,28)(H,27,29)(H,23,25,26)
InChIKeyHODUJVOQBJRCGY-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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109315964
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-(4-acetamidophenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198611
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109128147
N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306939

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide (CID 109315987) is 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HODUJVOQBJRCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)20(16)27-21(29)19-12-13-23-22(26-19)25-18-10-8-17(9-11-18)24-15(3)28/h5-13H,4H2,1-3H3,(H,24,28)(H,27,29)(H,23,25,26).
What are the key properties of 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
2-(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 2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).