N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 109336476

IUPACN-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(C)nc(Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C23H26N4O2/c1-6-17-9-7-8-15(3)21(17)27-22(28)19-13-16(4)24-23(26-19)25-18-12-14(2)10-11-20(18)29-5/h7-13H,6H2,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyWOUDTOBHKOLSHP-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.97
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336476) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336476
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(C)nc(Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C23H26N4O2/c1-6-17-9-7-8-15(3)21(17)27-22(28)19-13-16(4)24-23(26-19)25-18-12-14(2)10-11-20(18)29-5/h7-13H,6H2,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyWOUDTOBHKOLSHP-UHFFFAOYSA-N
XLogP4.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336145
N-(2,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335777
N-(2-ethyl-6-methylphenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109291856
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109328594
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336963
N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318967
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336478
N-(2,6-dimethylphenyl)-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849207
N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337379
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335722
2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335782
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide (CID 109336476) is N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(C)nc(Nc2cc(C)ccc2OC)n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is WOUDTOBHKOLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-6-17-9-7-8-15(3)21(17)27-22(28)19-13-16(4)24-23(26-19)25-18-12-14(2)10-11-20(18)29-5/h7-13H,6H2,1-5H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).