2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide

C22H26N4O2 — CID 162787194

IUPAC2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2CN=C(Nc3ccc(CC)cc3)NC2=O)cc1
InChIInChI=1S/C22H26N4O2/c1-3-15-5-9-18(10-6-15)24-20(27)13-17-14-23-22(26-21(17)28)25-19-11-7-16(4-2)8-12-19/h5-12,17H,3-4,13-14H2,1-2H3,(H,24,27)(H2,23,25,26,28)
InChIKeyUZACEOGWDFWXFA-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.35
Rot. Bonds6

About 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide

2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 162787194) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide
PubChem CID162787194
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2CN=C(Nc3ccc(CC)cc3)NC2=O)cc1
InChIInChI=1S/C22H26N4O2/c1-3-15-5-9-18(10-6-15)24-20(27)13-17-14-23-22(26-21(17)28)25-19-11-7-16(4-2)8-12-19/h5-12,17H,3-4,13-14H2,1-2H3,(H,24,27)(H2,23,25,26,28)
InChIKeyUZACEOGWDFWXFA-UHFFFAOYSA-N
XLogP3.35
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide (CID 162787194) is 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CC2CN=C(Nc3ccc(CC)cc3)NC2=O)cc1.
What is the InChIKey of 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is UZACEOGWDFWXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-15-5-9-18(10-6-15)24-20(27)13-17-14-23-22(26-21(17)28)25-19-11-7-16(4-2)8-12-19/h5-12,17H,3-4,13-14H2,1-2H3,(H,24,27)(H2,23,25,26,28).
What are the key properties of 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide?
2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 162787194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).