N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide

C20H28N4O3 — CID 109332567

IUPACN-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C20H28N4O3/c1-5-6-12-24(3)19(25)18-14-15(2)22-20(23-18)21-11-13-27-17-9-7-16(26-4)8-10-17/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,22,23)
InChIKeyNZAPDHOLWHDPGO-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.16
Rot. Bonds10

About N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide

N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 109332567) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID109332567
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C20H28N4O3/c1-5-6-12-24(3)19(25)18-14-15(2)22-20(23-18)21-11-13-27-17-9-7-16(26-4)8-10-17/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,22,23)
InChIKeyNZAPDHOLWHDPGO-UHFFFAOYSA-N
XLogP3.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
N-butyl-2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109330806
N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320873
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 108990542
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109322159
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659
2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683
N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
CID 109260523
N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323908
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
ethyl 2-[[4-[butyl(methyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109333738

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide (CID 109332567) is N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(NCCOc2ccc(OC)cc2)n1.
What is the InChIKey of N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is NZAPDHOLWHDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-5-6-12-24(3)19(25)18-14-15(2)22-20(23-18)21-11-13-27-17-9-7-16(26-4)8-10-17/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,22,23).
What are the key properties of N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide?
N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).