2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

C22H24N4O3 — CID 109260370

IUPAC2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3OC)nc2)c1
InChIInChI=1S/C22H24N4O3/c1-15-7-8-20(29-3)19(11-15)26-22-24-13-17(14-25-22)21(27)23-10-9-16-5-4-6-18(12-16)28-2/h4-8,11-14H,9-10H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyFHYRDHGAFHFUQI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.52
Rot. Bonds8

About 2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109260370) 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-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109260370
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3OC)nc2)c1
InChIInChI=1S/C22H24N4O3/c1-15-7-8-20(29-3)19(11-15)26-22-24-13-17(14-25-22)21(27)23-10-9-16-5-4-6-18(12-16)28-2/h4-8,11-14H,9-10H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyFHYRDHGAFHFUQI-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-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109260339
2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260348
2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260242
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
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
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248666
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (CID 109260370) is 2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is COc1cccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3OC)nc2)c1.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is FHYRDHGAFHFUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-7-8-20(29-3)19(11-15)26-22-24-13-17(14-25-22)21(27)23-10-9-16-5-4-6-18(12-16)28-2/h4-8,11-14H,9-10H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
2-(2-methoxy-5-methylanilino)-N-[2-(3-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-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).