2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide

C23H26N4O2 — CID 109306487

IUPAC2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nccc(C(=O)NCc2ccc(OC)cc2)n1
InChIInChI=1S/C23H26N4O2/c1-4-17-7-6-8-18(5-2)21(17)27-23-24-14-13-20(26-23)22(28)25-15-16-9-11-19(29-3)12-10-16/h6-14H,4-5,15H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyYFAPAOUMZKOHTL-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.28
Rot. Bonds8

About 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide

2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109306487) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109306487
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nccc(C(=O)NCc2ccc(OC)cc2)n1
InChIInChI=1S/C23H26N4O2/c1-4-17-7-6-8-18(5-2)21(17)27-23-24-14-13-20(26-23)22(28)25-15-16-9-11-19(29-3)12-10-16/h6-14H,4-5,15H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyYFAPAOUMZKOHTL-UHFFFAOYSA-N
XLogP4.28
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299885
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306303
2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304126
N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109311340
2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307652
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 109306487) is 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide is CCc1cccc(CC)c1Nc1nccc(C(=O)NCc2ccc(OC)cc2)n1.
What is the InChIKey of 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is YFAPAOUMZKOHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-17-7-6-8-18(5-2)21(17)27-23-24-14-13-20(26-23)22(28)25-15-16-9-11-19(29-3)12-10-16/h6-14H,4-5,15H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109306487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).