2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C23H26N4O — CID 109332530

IUPAC2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nc(C)cc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-3-27(20-14-8-5-9-15-20)23-25-18(2)17-21(26-23)22(28)24-16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,17H,3,10,13,16H2,1-2H3,(H,24,28)
InChIKeyYAVSQOANBIIPLW-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.31
Rot. Bonds8

About 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109332530) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109332530
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nc(C)cc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-3-27(20-14-8-5-9-15-20)23-25-18(2)17-21(26-23)22(28)24-16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,17H,3,10,13,16H2,1-2H3,(H,24,28)
InChIKeyYAVSQOANBIIPLW-UHFFFAOYSA-N
XLogP4.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759
2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327723
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194856
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352
N-(2,6-dimethylphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336042
2-(diethylamino)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyrimidine-4-carboxamide
CID 56731093
2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295026
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332533
N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109323750

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109332530) is 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1nc(C)cc(C(=O)NCCCc2ccccc2)n1.
What is the InChIKey of 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is YAVSQOANBIIPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-27(20-14-8-5-9-15-20)23-25-18(2)17-21(26-23)22(28)24-16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,17H,3,10,13,16H2,1-2H3,(H,24,28).
What are the key properties of 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).