6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide

C23H26N4O2 — CID 112853212

IUPAC6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)NCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-3-27(17-18-10-6-4-7-11-18)21-16-20(23(28)24-14-15-29-2)25-22(26-21)19-12-8-5-9-13-19/h4-13,16H,3,14-15,17H2,1-2H3,(H,24,28)
InChIKeyXADPKKBSGBNQGQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.55
Rot. Bonds9

About 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide

6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853212) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853212
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)NCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-3-27(17-18-10-6-4-7-11-18)21-16-20(23(28)24-14-15-29-2)25-22(26-21)19-12-8-5-9-13-19/h4-13,16H,3,14-15,17H2,1-2H3,(H,24,28)
InChIKeyXADPKKBSGBNQGQ-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851882
6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114288
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851607
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853685
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (CID 112853212) is 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)NCCOC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is XADPKKBSGBNQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-27(17-18-10-6-4-7-11-18)21-16-20(23(28)24-14-15-29-2)25-22(26-21)19-12-8-5-9-13-19/h4-13,16H,3,14-15,17H2,1-2H3,(H,24,28).
What are the key properties of 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).