N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide

C19H26N4O2 — CID 109260523

IUPACN-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1
InChIInChI=1S/C19H26N4O2/c1-4-5-12-23(2)18(24)16-13-21-19(22-14-16)20-11-10-15-6-8-17(25-3)9-7-15/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,21,22)
InChIKeyWOIONHGEISQOOT-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.01
Rot. Bonds9

About N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide

N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide (PubChem CID 109260523) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
PubChem CID109260523
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1
InChIInChI=1S/C19H26N4O2/c1-4-5-12-23(2)18(24)16-13-21-19(22-14-16)20-11-10-15-6-8-17(25-3)9-7-15/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,21,22)
InChIKeyWOIONHGEISQOOT-UHFFFAOYSA-N
XLogP3.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158989
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
CID 109251916
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236852
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide (CID 109260523) is N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1.
What is the InChIKey of N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide?
The InChIKey is WOIONHGEISQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-5-12-23(2)18(24)16-13-21-19(22-14-16)20-11-10-15-6-8-17(25-3)9-7-15/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,21,22).
What are the key properties of N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide?
N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109260523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).