6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide

C21H22N4O2 — CID 112853200

IUPAC6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-27-13-12-22-21(26)18-14-19(23-15-16-8-4-2-5-9-16)25-20(24-18)17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyHAPHEKRNBGXNMH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.13
Rot. Bonds8

About 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide

6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853200) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853200
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-27-13-12-22-21(26)18-14-19(23-15-16-8-4-2-5-9-16)25-20(24-18)17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyHAPHEKRNBGXNMH-UHFFFAOYSA-N
XLogP3.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
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
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (CID 112853200) is 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is COCCNC(=O)c1cc(NCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is HAPHEKRNBGXNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-13-12-22-21(26)18-14-19(23-15-16-8-4-2-5-9-16)25-20(24-18)17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).