N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide

C22H24N4O — CID 109256485

IUPACN-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C22H24N4O/c1-3-26(16-18-10-6-4-7-11-18)21(27)20-14-23-22(24-15-20)25-17(2)19-12-8-5-9-13-19/h4-15,17H,3,16H2,1-2H3,(H,23,24,25)
InChIKeyBLVDTYDMIDAMIB-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.31
Rot. Bonds7

About N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide

N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109256485) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109256485
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C22H24N4O/c1-3-26(16-18-10-6-4-7-11-18)21(27)20-14-23-22(24-15-20)25-17(2)19-12-8-5-9-13-19/h4-15,17H,3,16H2,1-2H3,(H,23,24,25)
InChIKeyBLVDTYDMIDAMIB-UHFFFAOYSA-N
XLogP4.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258372
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258364
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
N-benzyl-2-(3-chloro-2-methylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258381
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256521
N-benzyl-2-(3,4-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258399
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide (CID 109256485) is N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(NC(C)c2ccccc2)nc1.
What is the InChIKey of N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is BLVDTYDMIDAMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-26(16-18-10-6-4-7-11-18)21(27)20-14-23-22(24-15-20)25-17(2)19-12-8-5-9-13-19/h4-15,17H,3,16H2,1-2H3,(H,23,24,25).
What are the key properties of N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).