N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

C23H26N4O2 — CID 109329174

IUPACN-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-17-15-20(22(28)25-16-19-12-6-7-13-21(19)29-2)27-23(26-17)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15H,8,11,14,16H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyAHMIVZLTFKRPKH-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.77
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109329174) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109329174
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-17-15-20(22(28)25-16-19-12-6-7-13-21(19)29-2)27-23(26-17)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15H,8,11,14,16H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyAHMIVZLTFKRPKH-UHFFFAOYSA-N
XLogP3.77
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.77
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-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323874
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109328531
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
N-[(2-methoxyphenyl)methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 110851542
2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
2-[benzyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328208

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109329174) is N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is COc1ccccc1CNC(=O)c1cc(C)nc(NCCCc2ccccc2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is AHMIVZLTFKRPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-15-20(22(28)25-16-19-12-6-7-13-21(19)29-2)27-23(26-17)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15H,8,11,14,16H2,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).