6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide

C21H22N4O2 — CID 109368315

IUPAC6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(NCc2ccccc2)nc(C)n1
InChIInChI=1S/C21H22N4O2/c1-3-27-19-12-8-7-11-17(19)25-21(26)18-13-20(24-15(2)23-18)22-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyQFBYJQCZYLYJEQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.05
Rot. Bonds7

About 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368315) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368315
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(NCc2ccccc2)nc(C)n1
InChIInChI=1S/C21H22N4O2/c1-3-27-19-12-8-7-11-17(19)25-21(26)18-13-20(24-15(2)23-18)22-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyQFBYJQCZYLYJEQ-UHFFFAOYSA-N
XLogP4.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370402
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368304
N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849486
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 109368315) is 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(NCc2ccccc2)nc(C)n1.
What is the InChIKey of 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is QFBYJQCZYLYJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-27-19-12-8-7-11-17(19)25-21(26)18-13-20(24-15(2)23-18)22-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).