2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109307935

IUPAC2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-2-27-19-11-7-6-10-17(19)24-21-23-15-13-18(25-21)20(26)22-14-12-16-8-4-3-5-9-16/h3-11,13,15H,2,12,14H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyGOLVWXDFHOIGCL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.59
Rot. Bonds8

About 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109307935) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109307935
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-2-27-19-11-7-6-10-17(19)24-21-23-15-13-18(25-21)20(26)22-14-12-16-8-4-3-5-9-16/h3-11,13,15H,2,12,14H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyGOLVWXDFHOIGCL-UHFFFAOYSA-N
XLogP3.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311065
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702
2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311044
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
2-(2,5-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307967
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109218485
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109307935) is 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1nccc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is GOLVWXDFHOIGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-27-19-11-7-6-10-17(19)24-21-23-15-13-18(25-21)20(26)22-14-12-16-8-4-3-5-9-16/h3-11,13,15H,2,12,14H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).