2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

C22H24N4O3 — CID 109260242

IUPAC2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnc(Nc2cc(C)ccc2OC)nc1
InChIInChI=1S/C22H24N4O3/c1-15-8-9-20(29-3)18(12-15)26-22-24-13-17(14-25-22)21(27)23-11-10-16-6-4-5-7-19(16)28-2/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyYSEPVQDVQCMMET-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.52
Rot. Bonds8

About 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109260242) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109260242
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnc(Nc2cc(C)ccc2OC)nc1
InChIInChI=1S/C22H24N4O3/c1-15-8-9-20(29-3)18(12-15)26-22-24-13-17(14-25-22)21(27)23-11-10-16-6-4-5-7-19(16)28-2/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyYSEPVQDVQCMMET-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260370
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
5-(2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192496
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109158821
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
N-(2-methoxy-5-methylphenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192584

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (CID 109260242) is 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is COc1ccccc1CCNC(=O)c1cnc(Nc2cc(C)ccc2OC)nc1.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is YSEPVQDVQCMMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-8-9-20(29-3)18(12-15)26-22-24-13-17(14-25-22)21(27)23-11-10-16-6-4-5-7-19(16)28-2/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).