4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide

C18H22FN5O2 — CID 53010099

IUPAC4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C18H22FN5O2/c1-26-11-6-20-18(25)24-9-7-23(8-10-24)17-12-16(21-13-22-17)14-2-4-15(19)5-3-14/h2-5,12-13H,6-11H2,1H3,(H,20,25)
InChIKeyCQMIPGKGVDIVBG-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.76
Rot. Bonds5

About 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide

4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 53010099) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID53010099
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C18H22FN5O2/c1-26-11-6-20-18(25)24-9-7-23(8-10-24)17-12-16(21-13-22-17)14-2-4-15(19)5-3-14/h2-5,12-13H,6-11H2,1H3,(H,20,25)
InChIKeyCQMIPGKGVDIVBG-UHFFFAOYSA-N
XLogP1.76
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 53010099) is 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is CQMIPGKGVDIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-26-11-6-20-18(25)24-9-7-23(8-10-24)17-12-16(21-13-22-17)14-2-4-15(19)5-3-14/h2-5,12-13H,6-11H2,1H3,(H,20,25).
What are the key properties of 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53010099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).