2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide

C25H30N6O4 — CID 121063830

IUPAC2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)NCCOc3cc(N4CCCCC4)ncn3)cn2)cc1
InChIInChI=1S/C25H30N6O4/c1-2-34-20-8-6-19(7-9-20)21-14-25(33)31(18-29-21)16-23(32)26-10-13-35-24-15-22(27-17-28-24)30-11-4-3-5-12-30/h6-9,14-15,17-18H,2-5,10-13,16H2,1H3,(H,26,32)
InChIKeyRVBAWVKAYOQTPN-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.28
Rot. Bonds10

About 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide

2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (PubChem CID 121063830) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
PubChem CID121063830
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)NCCOc3cc(N4CCCCC4)ncn3)cn2)cc1
InChIInChI=1S/C25H30N6O4/c1-2-34-20-8-6-19(7-9-20)21-14-25(33)31(18-29-21)16-23(32)26-10-13-35-24-15-22(27-17-28-24)30-11-4-3-5-12-30/h6-9,14-15,17-18H,2-5,10-13,16H2,1H3,(H,26,32)
InChIKeyRVBAWVKAYOQTPN-UHFFFAOYSA-N
XLogP2.28
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 121063971
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
CID 121064091
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
CID 121051139
3-[2-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one
CID 121107071
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
CID 121038445
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121063779
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098839
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 121106620
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 121106664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (CID 121063830) is 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is CCOc1ccc(-c2cc(=O)n(CC(=O)NCCOc3cc(N4CCCCC4)ncn3)cn2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The InChIKey is RVBAWVKAYOQTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-2-34-20-8-6-19(7-9-20)21-14-25(33)31(18-29-21)16-23(32)26-10-13-35-24-15-22(27-17-28-24)30-11-4-3-5-12-30/h6-9,14-15,17-18H,2-5,10-13,16H2,1H3,(H,26,32).
What are the key properties of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is sourced from PubChem (CID 121063830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).