2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide

C22H24N4O2 — CID 109258095

IUPAC2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)NCCCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-20-11-9-18(10-12-20)14-24-22-25-15-19(16-26-22)21(27)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,15-16H,5,8,13-14H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyKREYJNCGXLITQH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.46
Rot. Bonds9

About 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide

2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide (PubChem CID 109258095) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
PubChem CID109258095
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)NCCCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-20-11-9-18(10-12-20)14-24-22-25-15-19(16-26-22)21(27)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,15-16H,5,8,13-14H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyKREYJNCGXLITQH-UHFFFAOYSA-N
XLogP3.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.46
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-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109255066
2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 20959691
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109306340
methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide (CID 109258095) is 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide is COc1ccc(CNc2ncc(C(=O)NCCCc3ccccc3)cn2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The InChIKey is KREYJNCGXLITQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-20-11-9-18(10-12-20)14-24-22-25-15-19(16-26-22)21(27)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,15-16H,5,8,13-14H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).