2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 109329524

IUPAC2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nc(N(CC)Cc3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-27(16-18-9-7-6-8-10-18)23-24-17(3)15-21(26-23)22(28)25-19-11-13-20(14-12-19)29-5-2/h6-15H,4-5,16H2,1-3H3,(H,25,28)
InChIKeyWTBULNWAQWMDFE-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.46
Rot. Bonds8

About 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109329524) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109329524
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nc(N(CC)Cc3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-27(16-18-9-7-6-8-10-18)23-24-17(3)15-21(26-23)22(28)25-19-11-13-20(14-12-19)29-5-2/h6-15H,4-5,16H2,1-3H3,(H,25,28)
InChIKeyWTBULNWAQWMDFE-UHFFFAOYSA-N
XLogP4.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329511
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109258493
2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109328285
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
CID 109329482
2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329498
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
N-(3,4-dichlorophenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332307
2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328260

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109329524) is 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(C)nc(N(CC)Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is WTBULNWAQWMDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-27(16-18-9-7-6-8-10-18)23-24-17(3)15-21(26-23)22(28)25-19-11-13-20(14-12-19)29-5-2/h6-15H,4-5,16H2,1-3H3,(H,25,28).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).