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

C22H24N4O2 — CID 109260348

IUPAC2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3cccc(C)c3C)nc2)c1
InChIInChI=1S/C22H24N4O2/c1-15-6-4-9-20(16(15)2)26-22-24-13-18(14-25-22)21(27)23-11-10-17-7-5-8-19(12-17)28-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyOBOWBIILWIFHSH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.82
Rot. Bonds7

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

2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109260348) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109260348
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3cccc(C)c3C)nc2)c1
InChIInChI=1S/C22H24N4O2/c1-15-6-4-9-20(16(15)2)26-22-24-13-18(14-25-22)21(27)23-11-10-17-7-5-8-19(12-17)28-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyOBOWBIILWIFHSH-UHFFFAOYSA-N
XLogP3.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109260339
2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260370
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248666
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948679
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158959
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256093
3-N-(2,3-dimethylphenyl)-5-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954152
N-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (CID 109260348) is 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is COc1cccc(CCNC(=O)c2cnc(Nc3cccc(C)c3C)nc2)c1.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is OBOWBIILWIFHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-6-4-9-20(16(15)2)26-22-24-13-18(14-25-22)21(27)23-11-10-17-7-5-8-19(12-17)28-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).