2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide

C21H22N4O3 — CID 109262794

IUPAC2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCOc1ccc(OCCNc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-25(17-6-4-3-5-7-17)20(26)16-14-23-21(24-15-16)22-12-13-28-19-10-8-18(27-2)9-11-19/h3-11,14-15H,12-13H2,1-2H3,(H,22,23,24)
InChIKeyQQZBDQVFDOXSHO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.25
Rot. Bonds8

About 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide

2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109262794) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109262794
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCOc1ccc(OCCNc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-25(17-6-4-3-5-7-17)20(26)16-14-23-21(24-15-16)22-12-13-28-19-10-8-18(27-2)9-11-19/h3-11,14-15H,12-13H2,1-2H3,(H,22,23,24)
InChIKeyQQZBDQVFDOXSHO-UHFFFAOYSA-N
XLogP3.25
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.25
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-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256110
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230196
N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109265906
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
CID 59720906
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide (CID 109262794) is 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide is COc1ccc(OCCNc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is QQZBDQVFDOXSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25(17-6-4-3-5-7-17)20(26)16-14-23-21(24-15-16)22-12-13-28-19-10-8-18(27-2)9-11-19/h3-11,14-15H,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide?
2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).