2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide

C22H24N4O2 — CID 109258493

IUPAC2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N(CC)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-26(16-17-8-6-5-7-9-17)22-23-14-18(15-24-22)21(27)25-19-10-12-20(13-11-19)28-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)
InChIKeyBWRKEKMKCZHWKZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.15
Rot. Bonds8

About 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide

2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109258493) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109258493
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N(CC)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-26(16-17-8-6-5-7-9-17)22-23-14-18(15-24-22)21(27)25-19-10-12-20(13-11-19)28-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)
InChIKeyBWRKEKMKCZHWKZ-UHFFFAOYSA-N
XLogP4.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109258516
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329524
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109239762
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
2-[benzyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258481
5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
CID 22923804
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258482

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide (CID 109258493) is 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(N(CC)Cc3ccccc3)nc2)cc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is BWRKEKMKCZHWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-26(16-17-8-6-5-7-9-17)22-23-14-18(15-24-22)21(27)25-19-10-12-20(13-11-19)28-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.15, 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)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).