N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

C21H22N4O3 — CID 109260301

IUPACN-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNc1ncc(C(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C21H22N4O3/c1-27-18-9-5-3-7-15(18)11-12-22-21-23-13-16(14-24-21)20(26)25-17-8-4-6-10-19(17)28-2/h3-10,13-14H,11-12H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyIMQBXVHVBSQUQZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.40
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109260301) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109260301
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNc1ncc(C(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C21H22N4O3/c1-27-18-9-5-3-7-15(18)11-12-22-21-23-13-16(14-24-21)20(26)25-17-8-4-6-10-19(17)28-2/h3-10,13-14H,11-12H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyIMQBXVHVBSQUQZ-UHFFFAOYSA-N
XLogP3.40
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260319
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260302
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
2-[2-(2-methoxyphenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109260270
N-(2,3-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158769
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260242
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (CID 109260301) is N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is COc1ccccc1CCNc1ncc(C(=O)Nc2ccccc2OC)cn1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is IMQBXVHVBSQUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-9-5-3-7-15(18)11-12-22-21-23-13-16(14-24-21)20(26)25-17-8-4-6-10-19(17)28-2/h3-10,13-14H,11-12H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).