2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide

C20H25N5O4 — CID 109254777

IUPAC2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2)cc1
InChIInChI=1S/C20H25N5O4/c1-15(26)24-8-10-25(11-9-24)20-22-13-16(14-23-20)19(27)21-7-12-29-18-5-3-17(28-2)4-6-18/h3-6,13-14H,7-12H2,1-2H3,(H,21,27)
InChIKeyBBNLQNJBNKVCPU-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.96
Rot. Bonds7

About 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide

2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide (PubChem CID 109254777) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
PubChem CID109254777
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2)cc1
InChIInChI=1S/C20H25N5O4/c1-15(26)24-8-10-25(11-9-24)20-22-13-16(14-23-20)19(27)21-7-12-29-18-5-3-17(28-2)4-6-18/h3-6,13-14H,7-12H2,1-2H3,(H,21,27)
InChIKeyBBNLQNJBNKVCPU-UHFFFAOYSA-N
XLogP0.96
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109209181
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109254758
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260452
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109254745
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030502
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
2-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254753
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321602
1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one
CID 109018152
2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109262764

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide (CID 109254777) is 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide is COc1ccc(OCCNC(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2)cc1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide?
The InChIKey is BBNLQNJBNKVCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-15(26)24-8-10-25(11-9-24)20-22-13-16(14-23-20)19(27)21-7-12-29-18-5-3-17(28-2)4-6-18/h3-6,13-14H,7-12H2,1-2H3,(H,21,27).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109254777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).