N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide

C26H25N5O4 — CID 121106800

IUPACN-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CCNC(=O)Cn3cnc(-c4ccccc4)cc3=O)cn2)cc1
InChIInChI=1S/C26H25N5O4/c1-2-35-21-10-8-20(9-11-21)23-14-25(33)30(17-28-23)13-12-27-24(32)16-31-18-29-22(15-26(31)34)19-6-4-3-5-7-19/h3-11,14-15,17-18H,2,12-13,16H2,1H3,(H,27,32)
InChIKeyZQGPVEYGNVJEIW-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.35
Rot. Bonds9

About N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide

N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (PubChem CID 121106800) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
PubChem CID121106800
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CCNC(=O)Cn3cnc(-c4ccccc4)cc3=O)cn2)cc1
InChIInChI=1S/C26H25N5O4/c1-2-35-21-10-8-20(9-11-21)23-14-25(33)30(17-28-23)13-12-27-24(32)16-31-18-29-22(15-26(31)34)19-6-4-3-5-7-19/h3-11,14-15,17-18H,2,12-13,16H2,1H3,(H,27,32)
InChIKeyZQGPVEYGNVJEIW-UHFFFAOYSA-N
XLogP2.35
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenylbutanamide
CID 121106619
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 121106546
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 121106664
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide
CID 121106549
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 121106620
2-(benzimidazol-1-yl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515924
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 121106637
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (CID 121106800) is N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is CCOc1ccc(-c2cc(=O)n(CCNC(=O)Cn3cnc(-c4ccccc4)cc3=O)cn2)cc1.
What is the InChIKey of N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The InChIKey is ZQGPVEYGNVJEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-2-35-21-10-8-20(9-11-21)23-14-25(33)30(17-28-23)13-12-27-24(32)16-31-18-29-22(15-26(31)34)19-6-4-3-5-7-19/h3-11,14-15,17-18H,2,12-13,16H2,1H3,(H,27,32).
What are the key properties of N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide has a molecular weight of 471.52 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121106800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).