N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide

C24H28N4O — CID 109258372

IUPACN-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1Nc1ncc(C(=O)N(CC)Cc2ccccc2)cn1
InChIInChI=1S/C24H28N4O/c1-4-19-13-10-14-20(5-2)22(19)27-24-25-15-21(16-26-24)23(29)28(6-3)17-18-11-8-7-9-12-18/h7-16H,4-6,17H2,1-3H3,(H,25,26,27)
InChIKeySXMQJOJXPYXUHB-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.01
Rot. Bonds8

About N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide

N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide (PubChem CID 109258372) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide
PubChem CID109258372
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1Nc1ncc(C(=O)N(CC)Cc2ccccc2)cn1
InChIInChI=1S/C24H28N4O/c1-4-19-13-10-14-20(5-2)22(19)27-24-25-15-21(16-26-24)23(29)28(6-3)17-18-11-8-7-9-12-18/h7-16H,4-6,17H2,1-3H3,(H,25,26,27)
InChIKeySXMQJOJXPYXUHB-UHFFFAOYSA-N
XLogP5.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258364
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
N-benzyl-2-(3-chloro-2-methylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258381
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
N-benzyl-2-(3,4-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258399
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258397
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256142
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide (CID 109258372) is N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide is CCc1cccc(CC)c1Nc1ncc(C(=O)N(CC)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide?
The InChIKey is SXMQJOJXPYXUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-19-13-10-14-20(5-2)22(19)27-24-25-15-21(16-26-24)23(29)28(6-3)17-18-11-8-7-9-12-18/h7-16H,4-6,17H2,1-3H3,(H,25,26,27).
What are the key properties of N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide?
N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109258372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).