2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide

C22H24N4O3 — CID 109262764

IUPAC2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-10-16(2)12-18(11-15)26-22-24-13-17(14-25-22)21(27)23-8-9-29-20-6-4-19(28-3)5-7-20/h4-7,10-14H,8-9H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyOPXLXLMQXCKTPB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.65
Rot. Bonds8

About 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide

2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide (PubChem CID 109262764) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
PubChem CID109262764
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-10-16(2)12-18(11-15)26-22-24-13-17(14-25-22)21(27)23-8-9-29-20-6-4-19(28-3)5-7-20/h4-7,10-14H,8-9H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyOPXLXLMQXCKTPB-UHFFFAOYSA-N
XLogP3.65
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109160931
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109261506
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256110
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251455
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765255
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109260339
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide (CID 109262764) is 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide is COc1ccc(OCCNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide?
The InChIKey is OPXLXLMQXCKTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-10-16(2)12-18(11-15)26-22-24-13-17(14-25-22)21(27)23-8-9-29-20-6-4-19(28-3)5-7-20/h4-7,10-14H,8-9H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide?
2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109262764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).